data_2kxp_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 2kxp _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 ' 7' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 m -54.15 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 m -45.94 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 45.2 p-10 -64.93 -33.58 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 81.8 tt0 -60.48 -39.3 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 16' ' ' ILE . 95.9 mt-10 -67.56 -40.99 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -63.73 -35.87 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.0 t -65.3 -43.7 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -61.59 -39.71 92.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 12' ' ' GLU . 50.8 mm -65.46 -47.36 87.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.497 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.97 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.68 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 31.4 ttpt -65.86 -41.33 91.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.2 -44.84 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -46.49 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.675 ' HG1' ' HD1' ' A' ' 23' ' ' HIS . 67.5 p -75.96 8.44 3.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.675 ' HD1' ' HG1' ' A' ' 22' ' ' THR . 2.3 m80 -123.71 15.3 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.98 81.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.476 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.21 167.52 21.8 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.815 2.343 . . . . 0.0 112.025 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -70.93 116.18 4.57 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.733 2.288 . . . . 0.0 112.16 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.52 35.28 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' B' ' 315' ' ' ARG . 94.8 mt-10 -149.29 37.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -73.83 -48.87 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.03 -57.4 12.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 57.4 mp0 -44.52 -54.44 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.76 -42.51 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.626 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.21 -50.91 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.02 -37.93 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.08 -42.06 97.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.07 -41.82 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -56.39 -54.76 41.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD1' ' SG ' ' B' ' 308' ' ' CYS . 64.2 mt -59.31 -34.82 72.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.2 -49.74 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.73 -32.62 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.1 t30 46.64 49.69 13.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 7.3 m120 -168.65 79.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.85 -37.97 54.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.13 -44.2 71.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 9.0 mp -77.3 -30.83 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.81 -38.6 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.23 -35.54 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -40.97 -59.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.9 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.14 -56.76 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.835 0.35 . . . . 0.0 110.612 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.53 87.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -54.35 -36.94 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.44 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.59 -56.53 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.568 ' O ' ' SD ' ' A' ' 59' ' ' MET . . . -52.72 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.562 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 92.5 mm-40 -33.65 -45.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.11 -72.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.96 -30.93 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.629 ' SD ' ' N ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -68.87 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.83 10.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 11.1 mm100 -124.58 24.8 7.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.59 ' C ' ' O ' ' A' ' 61' ' ' GLN . 79.5 m-85 23.87 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 31.4 m -58.82 111.36 3.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.8 Cg_exo -75.71 115.23 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.884 2.39 . . . . 0.0 112.211 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 7.1 p -109.4 165.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.494 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 64.9 mttp -125.16 103.97 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.0 mp -51.57 148.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.9 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.519 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.44 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.801 ' O ' ' N ' ' A' ' 72' ' ' ASP . 65.4 m-85 -137.43 14.73 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.618 ' C ' ' O ' ' A' ' 70' ' ' TYR . 34.6 p30 20.23 39.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 1.058 ' O ' ' N ' ' A' ' 74' ' ' VAL . 40.7 t0 -98.73 19.44 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.2 mp0 -0.26 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.058 ' N ' ' O ' ' A' ' 72' ' ' ASP . 11.4 p -63.87 173.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.531 HD13 ' N ' ' A' ' 75' ' ' LEU . 9.9 mp -113.39 152.34 30.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 HG21 ' CE2' ' A' ' 87' ' ' PHE . 81.5 mt -104.08 105.45 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.764 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 3.0 p -130.11 -176.95 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -31.32 46.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.62 ' HD1' ' NZ ' ' A' ' 146' ' ' LYS . 73.6 m-70 -63.97 -23.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.66 50.56 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.406 ' HA ' ' CD1' ' A' ' 87' ' ' PHE . 67.4 t0 -85.49 100.02 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -49.68 -51.48 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.7 25.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -116.14 1.31 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' CE1' ' A' ' 98' ' ' PHE . . . 121.13 -15.75 9.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -108.37 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.764 ' CE2' ' O ' ' A' ' 77' ' ' THR . 1.4 m-85 -114.48 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 tp -118.3 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.686 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 9.9 t70 -139.33 89.02 12.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.358 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -61.05 -36.67 81.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.826 2.351 . . . . 0.0 112.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.504 ' HE ' ' NH2' ' A' ' 129' ' ' ARG . 0.5 OUTLIER -59.46 -75.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -76.54 -20.27 57.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.686 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 49.1 mttt 62.71 62.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.484 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 6.1 mt -146.45 154.44 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.809 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.8 t -92.72 133.04 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.725 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 49.6 p90 -140.11 136.68 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 66.0 tttm -88.7 113.45 24.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.855 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 45.1 p90 -82.7 133.03 35.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.669 ' H ' ' HB1' ' A' ' 105' ' ' ALA . 27.0 t0 -104.51 90.11 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.639 ' H ' ' CD2' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.39 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.6 tp -47.49 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 99' ' ' ASP . 99.1 mtt180 -52.84 156.29 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.534 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -88.87 2.36 53.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -117.28 150.25 39.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.575 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.855 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 64.5 m -95.55 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t70 73.79 54.42 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.809 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.47 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.813 2.342 . . . . 0.0 112.065 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.808 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.9 OUTLIER -160.12 124.55 2.1 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.21 131.0 17.57 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.82 2.347 . . . . 0.0 112.028 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -122.84 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.4 p-10 -75.5 88.43 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.45 ' OG1' ' CE ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -46.89 164.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -76.13 -30.0 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.444 ' H ' ' HG1' ' A' ' 113' ' ' THR . 1.1 m 71.84 35.67 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.79 -59.92 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.452 ' H ' ' HG ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.14 3.37 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.527 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.45 ' CE ' ' OG1' ' A' ' 113' ' ' THR . 5.3 mptt -54.04 -41.88 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -39.17 -56.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -62.49 -47.6 83.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.556 ' O ' ' C ' ' A' ' 122' ' ' ASP . 8.4 tmm_? -53.91 -80.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.6 t0 -25.42 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.536 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.7 t -51.12 -48.56 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.433 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 63.6 t0 -40.36 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 80.1 p -48.01 -46.15 32.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.478 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.49 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.79 -12.18 60.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.504 ' NH2' ' HE ' ' A' ' 91' ' ' ARG . 38.6 ttm180 -66.44 -32.74 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.611 ' HA ' ' HG2' ' A' ' 133' ' ' LYS . . . -81.67 -39.28 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.435 ' HB2' ' CG2' ' A' ' 229' ' ' ILE . 57.0 t80 -54.73 -38.81 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 134' ' ' ASP . 6.6 p -74.77 -40.52 46.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.496 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.611 ' HG2' ' HA ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -76.08 25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 72.0 m-20 -147.52 7.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.57 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 92.7 m-70 -151.02 -21.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.544 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 6.2 m-85 -114.66 106.48 52.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.62 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.769 2.313 . . . . 0.0 112.033 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.03 158.18 45.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.8 p -129.53 162.34 28.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 51.6 m -161.44 97.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.4 t -75.71 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.569 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 46.7 m-85 -120.23 124.35 45.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.72 84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.62 ' NZ ' ' HD1' ' A' ' 79' ' ' HIS . 43.2 pttt -123.79 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.543 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.6 t -107.61 115.4 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 148' ' ' ILE . 1.2 tp -91.14 104.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 46.65 54.18 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.17 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -53.79 129.78 34.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.709 ' O ' ' HB ' ' A' ' 181' ' ' ILE . 4.2 mt-30 -85.76 150.48 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.375 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.4 t -155.24 146.16 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.716 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.52 110.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.569 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 81.5 mt -98.06 117.08 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.89 115.98 27.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.276 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 32.2 m -106.11 135.43 47.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.244 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.59 ' OE2' ' O ' ' A' ' 173' ' ' TRP . 10.1 tp10 -131.3 151.9 51.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 0.0 111.017 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.732 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.93 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.247 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 26.4 p80 -140.62 170.63 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.944 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.7 mm-40 -148.67 77.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -65.43 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.976 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.635 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 5.7 tp-100 -167.98 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' PRO . . . . . 0.686 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.0 Cg_exo -60.7 -52.07 4.19 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.817 2.344 . . . . 0.0 112.137 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -43.93 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 165' ' ' PRO . 13.1 m120 -121.94 -10.42 8.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.821 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.06 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.821 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.4 p-90 158.74 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.702 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.09 29.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 42.8 ttm180 -165.69 136.64 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.337 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' TRP . . . . . 0.732 ' N ' ' O ' ' A' ' 160' ' ' SER . 10.9 t-105 -107.55 138.96 42.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.574 HH21 ' NE2' ' A' ' 61' ' ' GLN . 94.8 mtt180 -125.39 152.25 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.225 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.3 111.11 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 111.037 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.704 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 78.7 tt0 -116.44 124.65 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.106 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . 0.556 ' CD2' ' HB3' ' A' ' 190' ' ' ALA . 47.5 m95 -120.56 116.91 26.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -98.6 119.83 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.722 ' O ' ' HA ' ' A' ' 153' ' ' THR . 1.8 t80 -117.49 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.681 ' O ' ' O ' ' A' ' 179' ' ' PHE . 3.0 m -50.04 -131.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' ILE . . . . . 0.709 ' HB ' ' O ' ' A' ' 152' ' ' GLN . 0.3 OUTLIER -164.26 151.38 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.922 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 1.018 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 85.0 Cg_exo -34.32 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.463 2.776 . . . . 0.0 112.696 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . 0.922 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.4 Cg_endo -79.84 -4.35 13.34 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.828 2.352 . . . . 0.0 112.118 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' THR . . . . . 1.021 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.35 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 1.108 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.85 131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.918 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 1.04 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 77.7 mt-30 -106.78 -115.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.243 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.767 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.4 t 145.68 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.674 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.87 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.376 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.704 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.6 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 3.7 p -165.74 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' LEU . . . . . 0.651 ' N ' ' CD2' ' A' ' 192' ' ' LEU . 2.1 mm? -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' LYS . . . . . 0.481 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 12.4 mttp -150.37 147.78 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.759 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . 0.505 ' CG2' ' HB3' ' A' ' 208' ' ' SER . 1.9 tp -149.41 134.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.252 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.422 ' H ' HD13 ' A' ' 194' ' ' ILE . 64.8 tt0 -142.35 130.32 21.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.947 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.7 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 46.8 t -132.67 136.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.131 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . 0.773 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 7.9 t60 -126.51 141.64 51.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.3 t80 -145.61 87.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.584 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.09 87.77 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' GLU . . . . . 0.792 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.6 tt0 -129.49 52.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.287 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' ASP . . . . . 0.792 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 86.4 m-20 114.85 2.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.64 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' B' ' 314' ' ' ARG . 15.6 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.649 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.05 129.18 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.543 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' GLN . . . . . 0.7 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 33.2 mt-30 -136.75 154.13 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 7.7 tt -122.28 87.24 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 88.2 t -90.05 122.22 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.374 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' SER . . . . . 0.85 ' OG ' ' HA ' ' B' ' 487' ' ' MET . 0.1 OUTLIER -149.57 147.21 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.819 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' HIS . . . . . 0.475 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 31.1 p80 -157.83 145.11 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 55.1 tttp -135.5 129.12 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.2 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.229 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.14 154.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 213' ' ' GLN . 1.1 pm0 -150.22 102.56 3.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' ASP . . . . . 0.599 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 96.5 m-20 -118.82 166.08 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' SER . . . . . 1.04 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 28.7 p -117.79 103.43 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' VAL . . . . . 1.108 ' O ' ' O ' ' A' ' 186' ' ' ALA . 78.7 t -91.96 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' GLN . . . . . 1.021 ' HA ' ' O ' ' A' ' 185' ' ' THR . 76.7 mt-30 -102.65 128.05 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.568 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' VAL . . . . . 1.018 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 70.6 t -85.97 137.48 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.664 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.9 t -131.02 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 1.9 t -100.29 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 224' ' ' THR . 66.8 t0 -86.82 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.03 -24.81 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -73.92 -56.74 4.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.585 ' OG1' ' CZ ' ' A' ' 228' ' ' PHE . 14.8 t -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.56 -57.12 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.1 -30.53 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -67.62 -38.72 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.43 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . 0.585 ' CZ ' ' OG1' ' A' ' 224' ' ' THR . 22.5 m-85 -67.77 -53.91 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.389 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.9 mm -52.17 -27.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.395 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.8 -36.77 62.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 1.3 mp -67.49 -41.19 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 232' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 177' ' ' TRP . 49.5 mt -70.15 -44.41 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.14 -47.0 82.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -69.58 -43.93 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.471 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.91 61.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.15 -44.17 95.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 237' ' ' ASN . . . . . 0.587 HD22 ' CD1' ' B' ' 546' ' ' ILE . 0.8 OUTLIER -60.03 -40.19 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.8 -34.34 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -68.48 -44.38 74.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -68.17 -39.02 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 84.2 m -61.41 -45.79 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.68 71.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 53.6 mt -69.16 -47.48 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.73 -34.18 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . 0.482 ' OE2' ' CE1' ' C' ' 677' ' ' TYR . 85.0 tt0 -66.89 -42.95 84.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.15 -34.57 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 247' ' ' TYR . . . . . 0.532 ' OH ' ' OG1' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.95 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -73.25 -50.85 20.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 249' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 253' ' ' THR . 15.3 m -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 33.9 mtt -72.94 -14.45 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.5 p -113.01 -10.08 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 66.4 t0 -132.12 47.75 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.563 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.1 m 175.69 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 254' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 9.0 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 255' ' ' PHE . . . . . 0.561 ' CE2' ' CZ ' ' B' ' 525' ' ' ARG . 48.0 t80 -47.62 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.18 -11.82 34.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.23 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 259' ' ' ARG . . . . . 0.747 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.4 ttt180 -98.59 174.51 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.47 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 260' ' ' ARG . . . . . 0.747 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 31.8 mtp180 -109.24 153.18 24.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 261' ' ' GLN . . . . . 0.656 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 97.8 mt-30 -83.67 -11.27 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 5.7 mt -163.62 133.29 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 263' ' ' PRO . . . . . 0.715 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 78.8 Cg_exo -43.91 135.43 7.71 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.927 2.418 . . . . 0.0 112.063 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 264' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 263' ' ' PRO . 3.7 m -37.85 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 265' ' ' THR . . . . . 0.411 ' N ' ' CG2' ' A' ' 264' ' ' VAL . 72.1 p -64.24 -5.36 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 38.0 ttm180 54.16 55.54 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.8 t 173.28 114.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 64.1 mttp -16.87 131.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 269' ' ' ILE . . . . . 0.424 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 10.9 tt -50.32 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 96.8 m-20 -117.11 58.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 271' ' ' TRP . . . . . 0.604 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.6 m95 -21.41 -55.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 270' ' ' ASP . 24.3 t-20 -44.58 -25.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . 1.217 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 70.0 mmtt -99.96 -7.69 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.586 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 274' ' ' ILE . . . . . 0.604 ' N ' ' O ' ' A' ' 271' ' ' TRP . 1.7 mp -103.21 -1.17 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 73.4 mt -111.14 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 276' ' ' SER . . . . . 1.295 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.9 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 1.217 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.8 t80 -31.07 43.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.621 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 278' ' ' LYS . . . . . 1.295 ' N ' ' O ' ' A' ' 276' ' ' SER . 27.8 mmtp -107.64 80.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.592 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.6 mp 54.21 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.66 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.547 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 302' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 22.7 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -42.73 -51.27 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.31 -34.15 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 305' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.7 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.478 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.19 -40.65 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.82 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 308' ' ' CYS . . . . . 0.42 ' SG ' ' CD1' ' A' ' 38' ' ' LEU . 84.4 m -68.09 -37.2 80.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.355 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.12 96.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.35 -38.41 84.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -68.28 -33.65 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.379 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.84 -43.71 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.361 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 95.4 mmm -64.37 -25.67 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 314' ' ' ARG . . . . . 0.525 ' O ' ' ND2' ' A' ' 203' ' ' ASN . 5.3 mpt_? -82.23 -12.37 58.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 315' ' ' ARG . . . . . 0.631 HH11 ' HG2' ' B' ' 315' ' ' ARG . 0.0 OUTLIER -100.08 -46.91 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 147.73 95.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.59 128.41 20.86 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.818 2.345 . . . . 0.0 112.029 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -71.5 -4.02 14.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.846 2.364 . . . . 0.0 112.047 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -80.58 -17.82 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.92 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.39 -40.9 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -59.73 -60.8 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -54.65 -54.36 42.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.515 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.67 -55.81 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 3.9 tt -47.14 -48.93 23.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.6 t -57.04 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.3 -40.76 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.508 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 60.0 tp -55.51 -41.01 72.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.48 -41.17 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.397 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -57.82 -37.99 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.397 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.23 -29.06 64.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.467 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.1 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.709 2.273 . . . . 0.0 112.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.29 -6.51 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.6 mt -119.0 20.87 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.11 -55.89 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.26 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' ASP . . . . . 0.447 ' O ' ' OG ' ' B' ' 342' ' ' SER . 94.6 m-20 -58.73 -36.12 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . 0.481 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.8 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' LEU . . . . . 0.642 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 45.4 mt -81.5 12.39 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.0 p -144.06 -3.78 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' B' ' 338' ' ' ASP . 5.5 m -119.32 -15.5 9.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 96.7 t -105.86 120.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -87.87 128.61 35.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.26 165.95 28.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.43 125.25 5.84 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.873 2.382 . . . . 0.0 112.104 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.72 122.51 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.663 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' LYS . . . . . 0.464 ' O ' HD11 ' B' ' 361' ' ' LEU . 14.1 mptt -88.65 148.83 23.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.397 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.8 tt -102.96 136.39 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.744 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' ALA . . . . . 0.724 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.63 157.66 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -114.31 143.31 45.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 63.8 t0 -111.91 81.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.415 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.6 mttt -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.49 -52.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 6.4 t -92.97 -25.42 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.15 24.68 70.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 352' ' ' ASP . 41.4 mmtm -115.1 154.86 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.6 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 358' ' ' ASP . . . . . 0.724 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.1 m-20 -94.77 143.09 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . 0.692 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 44.4 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.19 156.64 38.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.464 HD11 ' O ' ' B' ' 348' ' ' LYS . 4.8 mp -108.53 158.58 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 362' ' ' CYS . . . . . 0.443 ' O ' ' OD1' ' B' ' 365' ' ' ASN . 25.3 p -168.26 168.65 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 363' ' ' ASP . . . . . 0.642 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.49 -10.3 59.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.34 -18.22 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.489 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 365' ' ' ASN . . . . . 0.461 HD22 ' HA ' ' B' ' 361' ' ' LEU . 41.9 p-10 -123.23 24.75 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 366' ' ' ARG . . . . . 0.445 ' CZ ' ' OH ' ' B' ' 371' ' ' TYR . 58.5 ttt180 -119.96 129.85 54.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -122.19 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.05 -98.74 1.74 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.33 8.77 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 370' ' ' SER . . . . . 0.977 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 3.6 m -122.4 161.35 23.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 371' ' ' TYR . . . . . 1.107 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.4 m-85 -118.29 150.75 38.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.573 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . 0.764 ' NH1' ' O ' ' B' ' 387' ' ' ALA . 2.1 ttm-85 -98.72 124.74 43.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.645 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 373' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 78.8 p -79.62 133.76 58.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.778 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.89 -14.77 19.15 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.869 2.379 . . . . 0.0 112.21 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -85.87 -66.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.1 p -83.17 -18.6 38.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 377' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' B' ' 373' ' ' SER . 22.9 t30 70.3 40.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -141.53 137.84 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 379' ' ' TYR . . . . . 1.107 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.69 140.43 58.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 380' ' ' ASP . . . . . 0.749 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.98 -60.41 6.19 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.387 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 381' ' ' PRO . . . . . 0.977 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 31.4 Cg_exo -65.42 120.0 7.13 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.962 2.442 . . . . 0.0 112.323 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -41.5 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.014 2.476 . . . . 0.0 112.276 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.56 177.59 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.516 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -111.66 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -117.0 66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.535 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 386' ' ' GLY . . . . . 0.826 ' HA3' ' CZ ' ' B' ' 379' ' ' TYR . . . -72.23 151.72 47.34 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 387' ' ' ALA . . . . . 0.764 ' O ' ' NH1' ' B' ' 372' ' ' ARG . . . -63.96 127.23 30.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -132.29 148.52 70.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.92 150.77 49.73 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.765 2.31 . . . . 0.0 112.152 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.75 142.92 17.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.83 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -67.79 -37.9 82.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.84 -42.44 70.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.536 ' NE ' ' ND2' ' B' ' 377' ' ' ASN . 42.6 ttm180 -55.33 -36.77 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.395 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -63.55 -46.56 85.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.353 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.39 -31.96 73.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 397' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 401' ' ' ASN . 81.1 tt0 -67.86 -38.05 82.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.05 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.7 -37.05 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.311 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.95 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 401' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 57.4 m-80 -63.94 -39.01 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.363 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.12 -40.42 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.384 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.375 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.3 -29.2 67.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.66 -38.82 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -77.02 -32.98 57.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 407' ' ' TYR . . . . . 0.537 ' OH ' ' NH2' ' A' ' 259' ' ' ARG . 24.6 t80 -69.76 -18.56 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 408' ' ' ARG . . . . . 0.586 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.7 ttp180 -83.89 -35.44 24.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.532 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -85.24 -8.99 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 410' ' ' LEU . . . . . 0.642 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 51.5 mt -95.77 -17.93 20.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 411' ' ' TYR . . . . . 0.715 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.87 -38.04 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 3.0 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 413' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 95.0 mt-10 63.54 24.33 13.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.7 -154.5 25.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 415' ' ' GLY . . . . . 0.586 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.44 -163.49 52.9 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 416' ' ' VAL . . . . . 0.508 ' HA ' HH11 ' B' ' 408' ' ' ARG . 16.7 t -128.69 153.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 33.7 p -143.6 148.5 35.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 9.4 p -148.17 143.98 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 66.4 t -132.83 130.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.525 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 63.7 m-85 -128.44 132.5 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 11.2 mp -119.69 158.44 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -154.51 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -43.04 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.677 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 424' ' ' LEU . . . . . 0.449 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 55.3 mt -127.89 -147.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 425' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 26.1 p-10 -87.29 -49.85 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -129.79 30.79 4.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.64 -135.72 2.58 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.68 154.08 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -124.01 172.84 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 430' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.69 35.03 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 431' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.07 126.35 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 110.558 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.32 113.69 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 450' ' ' SER . 50.6 mt -102.9 143.22 32.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 434' ' ' ILE . . . . . 0.452 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.74 119.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -122.64 127.49 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 436' ' ' LYS . . . . . 0.561 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.09 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.93 138.13 40.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 439' ' ' ASP . . . . . 0.539 ' OD1' ' NZ ' ' C' ' 611' ' ' LYS . 94.5 m-20 -50.67 128.06 19.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.524 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.73 76.1 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.7 p -110.33 -4.25 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.657 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.543 ' NZ ' ' OE1' ' C' ' 678' ' ' GLU . 41.7 tptt -89.2 153.86 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 443' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' B' ' 442' ' ' LYS . 53.7 mtmt -56.88 -43.82 81.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 444' ' ' ILE . . . . . 0.429 ' H ' ' HG3' ' B' ' 442' ' ' LYS . 54.0 mt -95.13 135.97 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -105.81 154.71 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.42 24.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.45 130.6 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 448' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.6 t-105 -114.78 116.25 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -109.46 127.16 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.289 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 450' ' ' SER . . . . . 0.622 ' HG ' ' NE2' ' B' ' 452' ' ' HIS . 1.8 t -115.93 122.83 46.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 451' ' ' ILE . . . . . 0.452 ' O ' HG23 ' B' ' 472' ' ' THR . 41.6 mt -127.97 100.75 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.222 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 452' ' ' HIS . . . . . 0.622 ' NE2' ' HG ' ' B' ' 450' ' ' SER . 15.3 m-70 -108.64 132.44 53.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.72 95.66 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.216 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.73 153.61 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -131.81 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 16.2 t -79.11 139.62 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -123.49 68.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -40.35 146.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.63 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 459' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' B' ' 461' ' ' SER . 64.4 tttm -109.38 141.95 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.88 -54.21 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 461' ' ' SER . . . . . 0.513 ' O ' ' NZ ' ' B' ' 459' ' ' LYS . 78.4 p -126.7 146.55 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 462' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 59.18 -0.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.73 0.3 . . . . 0.0 110.563 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 464' ' ' THR . . . . . 0.551 ' H ' ' C ' ' B' ' 462' ' ' GLY . 4.0 t -82.3 123.63 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.74 151.86 33.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -92.93 126.56 38.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.15 139.43 38.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -135.82 86.16 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 470' ' ' THR . . . . . . . . . . . . . 16.3 m -157.84 62.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.029 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 471' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.7 p -64.72 174.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 472' ' ' THR . . . . . 0.452 HG23 ' O ' ' B' ' 451' ' ' ILE . 0.2 OUTLIER -168.79 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 473' ' ' VAL . . . . . 0.487 HG13 ' CZ2' ' B' ' 448' ' ' TRP . 91.9 t -69.72 143.86 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.058 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 474' ' ' MET . . . . . 0.453 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 18.4 ttm -124.85 95.99 4.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.133 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 475' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 46.8 tp -86.68 131.18 34.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 476' ' ' TRP . . . . . 0.442 ' CD1' ' C ' ' B' ' 476' ' ' TRP . 3.6 t-105 -125.26 130.29 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -137.35 124.69 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.742 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 478' ' ' GLN . . . . . 0.489 ' CG ' ' ND2' ' B' ' 488' ' ' ASN . 15.6 tm0? -138.22 158.15 44.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.434 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 479' ' ' THR . . . . . 0.511 ' CG2' ' HB3' ' B' ' 487' ' ' MET . 4.1 t -163.42 127.5 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 480' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.8 m-20 -108.22 73.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 88.4 tttt -107.58 146.68 31.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 482' ' ' THR . . . . . 0.525 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.6 m -57.27 -46.03 83.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.57 -25.31 68.68 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.1 p -125.9 14.87 8.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.632 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 486' ' ' THR . . . . . 0.475 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 69.1 p -126.04 114.0 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.513 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 487' ' ' MET . . . . . 0.85 ' HA ' ' OG ' ' A' ' 208' ' ' SER . 11.7 ttt -125.11 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 488' ' ' ASN . . . . . 0.489 ' ND2' ' CG ' ' B' ' 478' ' ' GLN . 33.6 m120 -119.0 124.02 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.608 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 489' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.4 tp -131.69 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.41 -163.82 21.79 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 491' ' ' GLY . . . . . 0.636 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.87 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 492' ' ' SER . . . . . 0.636 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.0 p 163.25 135.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.48 149.44 30.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 494' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' B' ' 495' ' ' ARG . 5.3 p -127.09 142.87 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.504 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 495' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 494' ' ' THR . 15.0 mmt180 -149.95 128.73 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.666 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.88 160.53 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 16.3 tpp -160.03 130.49 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 498' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.9 pm0 -133.53 141.55 47.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -172.2 145.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 500' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.9 p-10 -91.2 125.21 35.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -120.72 160.17 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 67.6 p -94.27 131.9 39.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.64 122.38 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 86.7 p -143.01 -177.26 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.94 77.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.58 -19.87 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 22.0 t -135.45 73.47 62.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 508' ' ' PRO . . . . . 0.462 ' O ' ' ND2' ' B' ' 512' ' ' ASN . 7.9 Cg_exo -72.54 -172.62 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.851 2.368 . . . . 0.0 112.182 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -58.69 -62.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.9 mt -42.79 -49.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.25 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.626 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 512' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' B' ' 508' ' ' PRO . 77.4 m-20 -62.97 -48.18 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.05 -33.64 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.63 73.76 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.29 -44.33 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.691 0.282 . . . . 0.0 110.731 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.26 -52.45 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.53 -47.15 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -57.91 -51.72 68.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 519' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.7 t0 -63.55 -37.48 87.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 5.3 tpt -64.37 -49.44 71.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 521' ' ' GLU . . . . . 0.402 ' OE1' ' CG2' ' B' ' 473' ' ' VAL . 2.9 tp10 -62.57 -45.35 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.688 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -56.81 -41.54 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -70.59 -38.42 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 524' ' ' ILE . . . . . 0.465 HG23 HD13 ' B' ' 524' ' ' ILE . 27.6 mm -74.48 -24.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 525' ' ' ARG . . . . . 0.561 ' CZ ' ' CE2' ' A' ' 255' ' ' PHE . 1.5 tmt_? -68.71 -27.68 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.3 t -85.01 -38.76 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 71.0 p -66.04 -35.79 81.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 528' ' ' LEU . . . . . 0.714 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 44.6 mt -64.99 -42.37 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.54 -31.29 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 530' ' ' GLU . . . . . 0.979 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.2 mt-10 -74.4 -54.43 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -61.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.562 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 532' ' ' TYR . . . . . 0.714 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 15.9 m-85 -50.27 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 533' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.77 40.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.585 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . 0.979 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 535' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' B' ' 536' ' ' THR . 31.0 mmtp -56.91 -68.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.557 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.67 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 51.2 p -34.79 -57.98 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.4 -53.28 30.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.17 -44.94 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.74 -36.04 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.46 -41.97 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -69.82 -17.08 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.33 47.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . 0.44 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.13 -51.44 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 544' ' ' ARG . . . . . 0.839 ' HG2' ' H ' ' B' ' 545' ' ' SER . 3.5 tmt_? -141.8 170.12 16.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 545' ' ' SER . . . . . 0.839 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.6 t -142.16 137.86 31.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 546' ' ' ILE . . . . . 0.587 ' CD1' HD22 ' A' ' 237' ' ' ASN . 10.7 tt -69.1 -43.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 547' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 548' ' ' ALA . 67.2 t0 -82.9 138.6 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.614 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 548' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' B' ' 547' ' ' ASP . . . -52.45 122.12 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' B' ' 551' ' ' ASP . 82.4 mt -79.54 112.75 31.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.2 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.92 2.413 . . . . 0.0 112.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.1 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 552' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' B' ' 550' ' ' PRO . 15.5 m120 -129.9 116.19 18.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.524 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -85.3 -24.79 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 558' ' ' LEU . 64.4 tttm -52.56 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -45.13 -56.69 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 556' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' B' ' 556' ' ' LYS . 4.1 mptp? -57.53 -46.95 83.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.762 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.81 -29.72 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.786 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.3 tp -77.76 -30.37 51.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.54 -36.38 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -58.2 -40.51 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.777 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 561' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.699 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . 0.866 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 50.0 tp -49.1 -40.69 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.6 m -61.21 -76.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.736 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -36.72 -13.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.866 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 22.3 t -72.11 -42.71 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.0 tp -81.45 -35.57 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.612 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.22 -19.65 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -117.51 6.63 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.94 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 570' ' ' GLN . . . . . 0.851 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.5 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 571' ' ' ILE . . . . . 0.851 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 3.5 mm . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 601' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.1 5.98 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 603' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' C' ' 607' ' ' MET . 10.8 p-10 -49.85 -37.78 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 604' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' C' ' 608' ' ' TRP . 59.0 mttt -69.71 -52.2 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.09 -28.93 56.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -75.64 -53.66 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 607' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' C' ' 603' ' ' ASP . 44.1 mtm -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 608' ' ' TRP . . . . . 0.405 ' N ' ' O ' ' C' ' 604' ' ' LYS . 76.3 t-105 -56.76 -16.02 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 609' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.42 -50.69 13.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.639 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.2 1.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 611' ' ' LYS . . . . . 0.539 ' NZ ' ' OD1' ' B' ' 439' ' ' ASP . 54.0 tttp -102.07 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.4 -4.22 21.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 613' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.83 58.53 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 9.6 t0 -63.89 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 615' ' ' LEU . . . . . 0.741 ' O ' HD21 ' C' ' 615' ' ' LEU . 2.7 tm? -44.93 -17.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.71 -27.54 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.536 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 617' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.5 tp10 -81.54 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 8.4 p -62.82 -28.37 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.23 -21.86 66.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 620' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 31.1 t70 -75.4 -45.48 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -60.91 -59.2 5.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.575 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.69 -27.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 623' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.67 -16.8 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.81 -76.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 625' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.88 82.31 0.1 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 626' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.6 pt-20 34.31 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 627' ' ' ASP . . . . . 0.537 ' O ' ' NE ' ' C' ' 630' ' ' ARG . 40.0 m-20 -141.0 62.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 628' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' C' ' 628' ' ' VAL . 19.9 m -121.97 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 629' ' ' ASN . . . . . 0.454 ' H ' ' HD2' ' C' ' 630' ' ' ARG . 65.0 t30 -173.06 5.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 630' ' ' ARG . . . . . 0.634 HH11 ' CB ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.04 166.82 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 631' ' ' THR . . . . . 0.505 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.07 87.64 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 632' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' C' ' 631' ' ' THR . 16.3 tp -31.28 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.422 ' H ' ' HB3' ' C' ' 632' ' ' LEU . 84.5 tt0 -71.67 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.36 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 635' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.72 0.18 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.9 164.92 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.548 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 637' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.5 mptm? -108.42 156.97 37.69 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.821 2.348 . . . . 0.0 112.138 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 639' ' ' LEU . . . . . 0.457 ' H ' ' C ' ' C' ' 637' ' ' LYS . 0.6 OUTLIER -117.7 -16.32 10.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.502 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.18 -43.86 49.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -71.71 -35.96 70.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.96 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 4.5 t70 -60.63 -35.65 76.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 645' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.2 t -160.92 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.04 34.08 4.47 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 647' ' ' GLN . . . . . 0.583 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 13.9 mm100 51.75 4.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.525 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 648' ' ' LEU . . . . . 0.857 ' N ' HD11 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.59 6.99 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.78 -12.58 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 650' ' ' ILE . . . . . 0.462 ' O ' HD21 ' C' ' 654' ' ' LEU . 1.1 mm -87.53 -36.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.629 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 1.035 ' H ' ' CD1' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 652' ' ' GLU . . . . . 1.006 ' H ' HD23 ' C' ' 651' ' ' LEU . 85.2 tt0 -56.22 -22.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.528 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 653' ' ' PHE . . . . . 0.973 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.89 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 654' ' ' LEU . . . . . 0.657 ' H ' HD21 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.34 6.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.637 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 655' ' ' LEU . . . . . 0.973 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.93 -47.86 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.27 -25.41 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.523 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.78 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 658' ' ' GLY . . . . . 0.4 ' H ' HG23 ' C' ' 628' ' ' VAL . . . -65.3 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 659' ' ' ALA . . . . . 0.74 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.04 33.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 660' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.0 m-20 -57.42 10.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 661' ' ' ILE . . . . . 0.74 ' H ' ' C ' ' C' ' 659' ' ' ALA . 8.4 tp -66.01 1.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 662' ' ' ASN . . . . . 1.045 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.61 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 663' ' ' ALA . . . . . 0.771 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.09 -33.67 0.28 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 664' ' ' PRO . . . . . 1.045 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.9 Cg_exo -46.93 120.8 4.43 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.868 2.378 . . . . 0.0 112.095 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -125.9 -50.49 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -78.78 -16.15 57.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 667' ' ' HIS . . . . . 0.484 ' H ' ' HD1' ' C' ' 667' ' ' HIS . 3.7 m80 -80.51 -6.23 57.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.586 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 40.44 37.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 669' ' ' ILE . . . . . 0.408 HD11 ' H ' ' C' ' 670' ' ' THR . 0.3 OUTLIER -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 670' ' ' THR . . . . . 0.408 ' H ' HD11 ' C' ' 669' ' ' ILE . 0.0 OUTLIER -96.24 168.68 10.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 671' ' ' PRO . . . . . 0.518 ' O ' ' OG ' ' C' ' 674' ' ' SER . 51.3 Cg_endo -72.48 -30.48 12.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.785 2.323 . . . . 0.0 112.144 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.38 -49.04 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 673' ' ' LEU . . . . . 0.631 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.4 tp -67.9 -27.77 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 674' ' ' SER . . . . . 0.518 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.2 p -51.81 -40.9 61.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 675' ' ' ALA . . . . . 0.428 ' N ' ' HG ' ' C' ' 674' ' ' SER . . . -74.59 -29.96 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 676' ' ' VAL . . . . . 0.631 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 8.8 t -47.17 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 677' ' ' TYR . . . . . 0.517 ' O ' ' NZ ' ' B' ' 442' ' ' LYS . 25.3 t80 -77.9 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 678' ' ' GLU . . . . . 0.543 ' OE1' ' NZ ' ' B' ' 442' ' ' LYS . 34.2 tp10 -124.5 -28.66 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.44 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 680' ' ' HIS . . . . . 0.912 ' C ' ' H ' ' C' ' 682' ' ' SER . 6.0 m80 -71.97 -53.54 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 681' ' ' VAL . . . . . 0.678 ' O ' HG22 ' C' ' 684' ' ' VAL . 6.7 m 43.31 -5.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 682' ' ' SER . . . . . 0.912 ' H ' ' C ' ' C' ' 680' ' ' HIS . 2.2 m -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.93 -48.72 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 684' ' ' VAL . . . . . 0.678 HG22 ' O ' ' C' ' 681' ' ' VAL . 4.2 m -41.86 -34.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 685' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' C' ' 687' ' ' LEU . 37.9 ttmt -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.91 1.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 687' ' ' LEU . . . . . 0.535 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 7.0 tt -45.73 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 689' ' ' SER . . . . . 0.408 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.2 m -55.8 -21.56 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.539 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -99.65 -6.24 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 692' ' ' ALA . . . . . 0.585 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 90.2 m-20 33.17 -128.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.597 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -152.5 -23.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 695' ' ' THR . . . . . 0.53 ' CG2' ' OG1' ' C' ' 703' ' ' THR . 0.7 OUTLIER -156.61 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.69 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -140.13 23.54 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.8 20.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 699' ' ' PRO . . . . . 0.659 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 77.6 Cg_exo -44.82 -27.77 2.61 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.789 2.326 . . . . 0.0 112.15 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 700' ' ' ASP . . . . . 0.659 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 4.4 m-20 157.79 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 701' ' ' GLY . . . . . 0.572 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.82 0.31 89.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 702' ' ' LEU . . . . . 0.629 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.8 -66.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 703' ' ' THR . . . . . 0.629 ' C ' ' O ' ' C' ' 702' ' ' LEU . 89.6 m 16.17 -95.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 704' ' ' ALA . . . . . 0.454 ' HA ' ' HB1' ' C' ' 707' ' ' ALA . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 705' ' ' LEU . . . . . 0.572 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.5 tt -62.86 -75.52 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.614 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.68 15.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 707' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 708' ' ' THR . . . . . 0.453 ' CG2' ' H ' ' C' ' 709' ' ' ASP . 1.1 m -139.82 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 709' ' ' ASP . . . . . 0.453 ' H ' ' CG2' ' C' ' 708' ' ' THR . 53.8 p-10 -148.76 -4.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -72.55 151.84 42.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.55 -20.54 62.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.16 -60.37 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 713' ' ' ILE . . . . . 0.41 HG12 ' H ' ' C' ' 714' ' ' LYS . 0.0 OUTLIER -70.06 -37.64 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.579 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 714' ' ' LYS . . . . . 0.41 ' H ' HG12 ' C' ' 713' ' ' ILE . 81.1 tttt -52.09 -29.9 23.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 715' ' ' ALA . . . . . 0.562 ' O ' ' HG ' ' C' ' 716' ' ' LEU . . . -28.23 14.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 716' ' ' LEU . . . . . 0.792 ' O ' ' CB ' ' C' ' 717' ' ' LEU . 2.0 mp -161.07 98.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 717' ' ' LEU . . . . . 0.792 ' CB ' ' O ' ' C' ' 716' ' ' LEU . 1.1 tt 124.14 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 718' ' ' GLN . . . . . 0.766 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 36.4 tt0 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.596 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 12.0 p -54.1 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.739 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.4 t -45.83 162.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.654 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 43.3 p-10 -64.9 -33.63 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 96.6 mt-10 -60.47 -39.32 87.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.55 -41.03 84.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.26 -43.76 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -61.53 -39.72 92.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -65.44 -47.37 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.89 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 97.0 mttt -65.88 -41.34 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -65.16 -44.81 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.423 HG22 HD13 ' A' ' 21' ' ' ILE . 96.7 mt -66.66 -46.51 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.553 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.536 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 70.3 p -76.03 8.47 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.78 15.4 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.52 146.96 81.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -68.21 167.56 21.68 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.352 . . . . 0.0 112.036 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.02 116.24 4.61 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.751 2.301 . . . . 0.0 112.101 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.45 35.5 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -149.31 37.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 110.516 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 52.6 p90 -73.95 -48.78 28.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 66.5 t30 -57.03 -57.38 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.618 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -44.53 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.82 -42.52 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -59.2 -50.85 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -59.99 -37.98 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.667 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.03 -42.08 97.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -67.05 -41.9 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -56.31 -54.85 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 mt -59.3 -34.79 72.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 mt -73.26 -49.71 26.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 63.3 t30 46.65 49.67 13.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 69.9 m-20 -168.68 79.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -51.87 -37.94 54.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -54.16 -44.18 71.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.29 -30.82 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.76 -38.68 91.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -66.25 -35.5 80.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -41.02 -59.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.87 48.63 0.92 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.13 -56.82 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.56 87.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -54.31 -37.02 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.33 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.502 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 32.6 m-85 -46.59 -56.57 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.66 -72.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 87.0 mt-30 -33.65 -45.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.03 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -47.0 -30.88 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.552 ' C ' ' H ' ' A' ' 61' ' ' GLN . 76.4 mtp -68.89 -66.54 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 174' ' ' ARG . 98.0 m-20 -67.91 10.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 63' ' ' THR . 15.6 mm100 -124.56 24.79 7.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.6 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 77.8 m-85 23.83 44.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.0 m -58.83 111.34 3.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.7 Cg_exo -75.65 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.874 2.382 . . . . 0.0 112.219 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 10.3 p -109.41 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.474 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 34.9 pttt -125.16 103.96 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.665 ' O ' ' C ' ' A' ' 68' ' ' GLU . 48.0 mt -51.52 148.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 67' ' ' ILE . 84.0 tt0 -13.22 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.793 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.9 m-85 -137.47 14.71 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.627 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 4.7 p-10 20.2 39.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 1.074 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.2 t0 -98.78 19.41 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 87.0 mm-40 -0.22 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.074 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.92 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.532 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 9.9 mp -113.34 152.38 30.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 95.8 mt -104.14 105.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.2 p -130.13 -176.95 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.8 -31.26 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -64.0 -23.64 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.522 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.15 15.68 50.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -85.53 100.02 11.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.8 0.333 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp -49.61 -51.55 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.73 25.38 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.79 9.34 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.599 ' NH2' ' O ' ' A' ' 107' ' ' ASP . 29.8 mtp180 -108.35 168.7 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.519 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.9 m-85 -114.51 -170.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -118.3 157.38 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.687 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 18.5 t0 -139.33 89.03 12.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.562 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 23.5 Cg_exo -61.01 -36.69 81.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.852 2.368 . . . . 0.0 111.995 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.561 HH22 ' HG ' ' A' ' 141' ' ' CYS . 11.3 tpp180 -59.43 -75.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -76.43 -20.4 57.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 62.0 mttm 62.76 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.469 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 15.4 tt -146.5 154.43 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.567 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.818 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.8 t -92.65 133.02 36.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 37.7 p90 -140.11 136.61 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.439 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.7 tttt -88.62 113.38 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.845 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 48.6 t80 -82.71 133.11 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.676 ' H ' ' HB3' ' A' ' 105' ' ' ALA . 31.1 t0 -104.6 90.16 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.697 ' H ' ' CD2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -36.38 -67.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.593 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 69.4 mt -47.41 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.0 tpp180 -52.75 156.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -88.88 2.35 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -117.27 150.22 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.845 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.5 m -95.53 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.599 ' O ' ' NH2' ' A' ' 86' ' ' ARG . 1.3 m-20 73.75 54.51 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.818 ' CA ' ' O ' ' A' ' 95' ' ' SER . 57.2 Cg_endo -73.5 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.839 2.36 . . . . 0.0 112.069 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.815 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.2 tt0 -160.15 124.57 2.1 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -47.2 131.0 17.55 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.841 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -122.91 102.52 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.0 p-10 -75.5 88.45 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.98 164.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.02 -30.07 58.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 71.94 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.74 -59.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.11 3.34 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' GLN . 37.9 ttpt -53.98 -41.91 68.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.462 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER -39.21 -55.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -62.58 -47.59 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.746 HH21 ' H ' ' A' ' 145' ' ' GLY . 22.0 ttm180 -53.89 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.655 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 35.4 t70 -25.44 -45.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.91 -67.25 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 6.3 t -51.1 -48.55 61.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.612 ' CG ' ' HB ' ' A' ' 143' ' ' VAL . 0.9 OUTLIER -40.47 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 27.0 m -48.04 -46.15 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.449 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.28 -51.49 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.82 -12.23 60.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.471 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 126' ' ' SER . 13.5 tpt180 -66.39 -32.78 74.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.555 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 18.5 t80 -54.73 -38.79 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 134' ' ' ASP . 19.2 m -74.75 -40.52 46.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 61.9 mttm -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.57 7.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.544 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 134' ' ' ASP . 38.6 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 44.5 m-85 -114.67 106.45 52.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.55 -57.17 2.34 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.764 2.31 . . . . 0.0 112.072 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -127.55 50.06 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.57 ' CA ' ' HG ' ' A' ' 160' ' ' SER . . . -108.82 163.64 12.64 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -135.09 158.15 45.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.628 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.561 ' HG ' HH22 ' A' ' 91' ' ' ARG . 2.9 p -129.54 162.25 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.546 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 24.9 m -161.38 97.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.612 ' HB ' ' CG ' ' A' ' 125' ' ' ASP . 49.3 t -75.75 143.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.546 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 37.2 m-85 -120.21 124.29 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.542 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.746 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.77 84.53 0.37 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -123.76 167.37 14.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.56 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.0 p -107.55 115.38 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.504 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.9 tt -91.16 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 46.62 54.22 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.91 -62.84 4.16 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -53.8 129.83 34.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.661 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.552 ' H ' HG21 ' A' ' 181' ' ' ILE . 71.5 mt-30 -85.82 150.52 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.3 t -155.25 146.13 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.9 mm -108.48 110.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.443 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 77.1 mt -98.12 117.08 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.89 116.07 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 37.5 m -106.16 135.44 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.76 137.71 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.188 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 14.7 tm-20 -131.3 151.96 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.396 . . . . 0.0 111.008 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.94 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 16.6 p-80 -140.71 170.61 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.0 mm-40 -148.62 77.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.237 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -65.35 147.44 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.439 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.2 tm0? -167.96 66.05 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.8 Cg_endo -60.72 -52.13 4.11 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.786 2.324 . . . . 0.0 112.109 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -43.83 -8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.418 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 8.5 m120 -121.89 -10.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.83 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.12 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.83 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.6 p-90 158.77 127.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.0 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.348 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.84 163.14 29.04 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.75 136.64 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' TRP . . . . . 0.733 ' N ' ' O ' ' A' ' 160' ' ' SER . 7.1 t-105 -107.55 138.89 42.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 60' ' ' ASP . 53.3 mtp180 -125.36 152.3 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.21 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.31 111.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.913 0.387 . . . . 0.0 111.025 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.733 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 85.4 tt0 -116.39 124.69 50.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.124 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . 0.55 ' CD2' ' HB1' ' A' ' 190' ' ' ALA . 44.9 m95 -120.59 116.94 26.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.913 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 176' ' ' GLU . 67.6 mttm -98.58 119.83 37.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.412 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.722 ' O ' ' HA ' ' A' ' 153' ' ' THR . 3.0 t80 -117.46 88.58 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.743 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.678 ' O ' ' O ' ' A' ' 179' ' ' PHE . 2.9 t -50.05 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' ILE . . . . . 0.72 ' O ' ' OG1' ' A' ' 182' ' ' THR . 0.0 OUTLIER -164.31 151.33 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.687 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.918 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.76 61.41 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.472 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 1.04 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 83.9 Cg_exo -34.36 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.434 2.756 . . . . 0.0 112.688 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . 0.918 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.8 Cg_endo -79.87 -4.35 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.876 2.384 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' THR . . . . . 1.039 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.6 OUTLIER 159.36 -18.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.24 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 1.108 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.8 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.942 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 1.068 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.3 mt-30 -106.75 -115.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.223 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.774 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.5 t 145.66 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' ALA . . . . . 0.774 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.37 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 3.8 p -165.78 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.535 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' LEU . . . . . 0.583 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 6.7 mp -85.6 157.86 20.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' LYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 30.5 mttt -150.32 147.83 28.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . 0.458 ' CD1' ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -149.49 134.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.306 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.458 ' N ' ' CD1' ' A' ' 194' ' ' ILE . 89.0 mt-30 -142.37 130.28 21.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.911 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 2.9 t -132.7 136.61 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.169 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . 0.771 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 8.9 t-80 -126.5 141.56 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.945 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' TYR . . . . . 0.604 ' O ' ' CD2' ' A' ' 198' ' ' TYR . 61.4 t80 -145.54 87.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.286 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.5 t80 -100.1 87.8 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 61.7 tt0 -129.46 52.14 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.32 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' ASP . . . . . 0.799 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 59.5 t0 114.87 2.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.407 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.66 -129.11 1.08 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -172.85 99.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.575 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.05 129.13 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.554 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' GLN . . . . . 0.701 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.6 tt0 -136.73 154.12 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . 0.446 ' CD2' ' HH ' ' A' ' 247' ' ' TYR . 12.7 tp -122.24 87.22 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' VAL . . . . . 0.453 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 13.5 t -90.06 122.22 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.383 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.56 147.19 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.807 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' HIS . . . . . 0.528 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 33.5 p80 -157.82 145.11 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -135.45 129.04 32.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 44.1 p-10 -103.56 129.85 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.19 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.9 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -150.2 102.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' ASP . . . . . 0.611 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.1 t0 -118.88 166.06 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' SER . . . . . 1.068 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 21.6 p -117.8 103.42 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' VAL . . . . . 1.108 ' O ' ' O ' ' A' ' 186' ' ' ALA . 88.9 t -91.95 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' GLN . . . . . 1.039 ' HA ' ' O ' ' A' ' 185' ' ' THR . 79.7 mt-30 -102.64 128.06 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' VAL . . . . . 1.04 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 76.6 t -85.98 137.48 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.628 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.5 t -131.04 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 3.0 t -100.23 -163.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' ASP . . . . . 0.517 ' O ' HG21 ' A' ' 224' ' ' THR . 45.1 t0 -86.85 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.11 -24.67 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -74.01 -56.74 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.517 HG21 ' O ' ' A' ' 221' ' ' ASP . 15.2 t -54.66 -36.88 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.58 -57.11 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.447 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -57.1 -30.47 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.62 -38.76 84.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.481 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 4.9 t80 -67.72 -53.91 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.414 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.3 mm -52.17 -27.35 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.366 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -74.85 -36.74 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 231' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 231' ' ' ILE . 35.9 mm -67.51 -41.19 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.443 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 232' ' ' ILE . . . . . 0.472 HG12 ' CD2' ' A' ' 177' ' ' TRP . 43.1 mt -70.07 -44.51 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -57.08 -46.97 82.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -69.68 -43.88 71.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.94 61.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 236' ' ' GLU . . . . . 0.565 ' CG ' ' NH1' ' B' ' 544' ' ' ARG . 15.9 tp10 -60.17 -44.1 95.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 237' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.03 -40.24 88.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.74 -34.33 73.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.42 -44.48 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -38.98 82.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 78.0 m -61.48 -45.74 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.69 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.17 -47.59 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.63 -34.22 73.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.9 -42.92 84.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.09 -34.66 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 247' ' ' TYR . . . . . 0.596 ' O ' ' OG ' ' A' ' 251' ' ' SER . 3.4 m-85 -64.91 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . 0.555 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 78.0 mt-30 -73.23 -50.86 20.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 249' ' ' THR . . . . . 0.532 ' O ' ' HB ' ' A' ' 253' ' ' THR . 81.5 p -64.75 -34.84 79.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 46.3 mtt -72.92 -14.46 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 251' ' ' SER . . . . . 0.634 ' OG ' ' HB3' ' B' ' 533' ' ' PHE . 1.1 m -113.0 -10.07 13.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 252' ' ' ASP . . . . . 0.786 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 3.0 p30 -132.1 47.72 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 253' ' ' THR . . . . . 0.656 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 8.4 m 175.73 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 254' ' ' THR . . . . . 0.514 ' OG1' ' CD1' ' B' ' 444' ' ' ILE . 9.2 m -53.52 -61.17 2.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 255' ' ' PHE . . . . . 0.539 ' CE1' ' OD1' ' B' ' 529' ' ' ASN . 3.4 t80 -47.74 -57.52 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . 0.723 ' NZ ' ' NE ' ' C' ' 636' ' ' ARG . 6.9 ptmm? -64.17 -11.83 34.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.21 -18.2 30.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 259' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.61 174.45 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 260' ' ' ARG . . . . . 0.525 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 0.7 OUTLIER -109.16 153.19 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -83.72 -11.21 57.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.61 133.27 3.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 263' ' ' PRO . . . . . 0.722 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.91 135.4 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.915 2.41 . . . . 0.0 112.056 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 264' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 263' ' ' PRO . 4.4 m -37.75 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 265' ' ' THR . . . . . 0.409 ' N ' ' CG2' ' A' ' 264' ' ' VAL . 82.2 m -64.18 -5.42 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 266' ' ' ARG . . . . . 0.681 ' N ' ' O ' ' A' ' 263' ' ' PRO . 20.8 mmm180 54.13 55.59 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 267' ' ' THR . . . . . 0.638 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.7 m 173.27 114.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . 0.638 ' C ' ' O ' ' A' ' 267' ' ' THR . 68.7 mttm -16.71 131.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 269' ' ' ILE . . . . . . . . . . . . . 2.2 pt -50.34 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . 0.805 ' O ' ' N ' ' A' ' 273' ' ' LYS . 1.0 OUTLIER -117.12 58.57 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 271' ' ' TRP . . . . . 0.616 ' CE2' ' HA3' ' B' ' 514' ' ' GLY . 77.5 m95 -21.52 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . 0.641 ' H ' HD21 ' A' ' 272' ' ' ASN . 1.9 m-80 -44.66 -25.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . 1.226 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 2.5 mptm? -100.0 -7.66 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 274' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' A' ' 271' ' ' TRP . 18.4 mm -103.2 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . 0.722 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 276' ' ' SER . . . . . 1.314 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.3 t 141.95 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.578 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 1.226 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.7 t80 -30.92 43.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 278' ' ' LYS . . . . . 1.314 ' N ' ' O ' ' A' ' 276' ' ' SER . 36.2 tptt -107.66 80.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.631 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.8 mt 54.22 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.65 -135.17 0.0 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.523 -179.848 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 302' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 44.1 t . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -42.8 -51.18 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.32 -34.16 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.464 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 305' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 302' ' ' SER . 24.1 mt-30 -60.74 -49.03 79.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.26 -40.63 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.94 -40.84 95.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.353 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 84.4 m -68.07 -37.21 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.358 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 309' ' ' ALA . . . . . 0.487 ' O ' ' SD ' ' B' ' 313' ' ' MET . . . -64.22 -42.09 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.397 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.31 -38.45 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.385 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.28 -33.66 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.2 tp -68.83 -43.7 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 313' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' B' ' 313' ' ' MET . 0.0 OUTLIER -64.42 -25.55 68.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.434 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.35 -12.31 58.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 315' ' ' ARG . . . . . 0.54 HH11 ' HG2' ' B' ' 315' ' ' ARG . 66.5 mtt-85 -100.06 -46.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.59 147.7 95.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.65 128.45 21.12 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.768 2.312 . . . . 0.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -71.48 -4.05 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.854 2.369 . . . . 0.0 112.06 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -80.53 -17.8 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -123.94 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 63.4 mt -63.4 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.76 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.534 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -54.66 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -54.69 -55.76 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.468 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 4.2 tt -47.14 -48.9 23.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.17 -49.68 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.37 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -62.39 -40.73 97.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.426 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 55.9 tp -55.56 -40.99 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.498 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' ILE . . . . . 0.403 HG23 HD13 ' B' ' 329' ' ' ILE . 96.7 mt -65.48 -41.23 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.74 -37.96 74.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.24 -29.06 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.441 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.55 84.6 9.05 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.456 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.07 -5.59 15.09 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.752 2.301 . . . . 0.0 112.046 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 63.9 m -89.3 -6.46 56.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.458 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.0 mt -119.03 20.84 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.2 p -64.04 -55.95 18.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.564 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 97.6 mt-10 -60.35 -50.4 73.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.535 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.75 -36.13 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 67.9 mt -79.11 -28.62 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.9 mt -81.44 12.36 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 56.3 p -144.09 -3.67 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.7 t -119.41 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 81.5 t -105.86 120.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -87.86 128.64 35.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.23 165.94 28.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 125.31 5.91 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.817 2.345 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.71 122.5 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -88.65 148.8 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.418 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.9 tt -102.95 136.34 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' ALA . . . . . 0.735 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.34 143.35 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.627 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.968 ' O ' ' N ' ' B' ' 356' ' ' GLY . 62.5 t0 -111.9 81.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.7 mttt -37.21 -63.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 66.3 t -39.49 -52.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.1 t -92.97 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . 0.968 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.71 70.47 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.12 154.89 28.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 358' ' ' ASP . . . . . 0.735 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 91.6 m-20 -94.68 143.08 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 39.3 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.25 156.63 38.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.58 ' CD2' ' H ' ' B' ' 362' ' ' CYS . 0.6 OUTLIER -108.57 158.56 17.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 362' ' ' CYS . . . . . 0.58 ' H ' ' CD2' ' B' ' 361' ' ' LEU . 29.5 p -168.23 168.62 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.4 p-10 -75.44 -10.29 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.648 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -88.38 -18.23 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.463 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 365' ' ' ASN . . . . . 0.518 ' OD1' ' SG ' ' B' ' 362' ' ' CYS . 38.3 p-10 -123.16 24.74 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -119.99 129.93 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -122.22 99.53 6.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.08 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.3 8.75 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 370' ' ' SER . . . . . 1.017 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.35 161.36 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 371' ' ' TYR . . . . . 1.105 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.0 OUTLIER -118.32 150.78 38.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . 0.599 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 11.9 ttm180 -98.76 124.75 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 373' ' ' SER . . . . . 0.573 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 10.5 t -79.65 133.81 58.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.89 -14.8 19.16 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.88 2.387 . . . . 0.0 112.216 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -85.9 -66.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 77.8 p -83.14 -18.61 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 377' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' B' ' 373' ' ' SER . 53.3 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -141.6 137.9 32.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 379' ' ' TYR . . . . . 1.105 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 32.6 m-85 -65.7 140.42 58.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.622 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 380' ' ' ASP . . . . . 0.751 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.97 -60.4 6.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.396 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 381' ' ' PRO . . . . . 1.017 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.2 Cg_exo -65.43 119.97 7.09 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.54 79.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.98 2.453 . . . . 0.0 112.239 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.54 177.55 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . 0.576 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 98.5 mt-10 -111.64 -72.16 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -116.99 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.15 151.74 47.49 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 387' ' ' ALA . . . . . 0.556 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.96 127.27 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.628 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.3 ptp -132.31 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.87 150.75 49.96 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.797 2.331 . . . . 0.0 112.18 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.2 m -52.76 142.96 17.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.61 -43.79 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -67.91 -37.81 82.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -55.35 -36.79 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -63.53 -46.59 85.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.33 -32.03 73.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.319 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -67.79 -38.08 82.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.02 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.78 -36.97 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.332 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.92 94.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.411 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 401' ' ' ASN . 55.7 t-20 -63.94 -39.05 93.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.345 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.08 -40.36 68.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.04 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.25 -29.28 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.453 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 405' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 405' ' ' ASP . 65.4 t0 -54.61 -38.86 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -77.06 -32.9 57.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.78 -18.63 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 408' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 9.7 ptt180 -83.79 -35.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 409' ' ' ASP . . . . . 0.467 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 95.6 m-20 -85.14 -8.93 58.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.595 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 410' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 52.0 mt -95.84 -17.96 20.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 411' ' ' TYR . . . . . 0.722 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.86 -38.06 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 68.4 m-85 -100.6 -25.95 13.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 413' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.0 mt-10 63.55 24.32 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.75 -154.46 25.42 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.37 -163.44 52.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 19.5 t -128.71 153.72 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 38.4 t -143.6 148.48 35.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 23.3 m -148.21 143.95 27.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.88 130.24 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.533 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.7 m-85 -128.4 132.42 48.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 11.2 mp -119.66 158.43 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.708 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 422' ' ' TRP . . . . . 0.576 ' CD1' ' N ' ' B' ' 422' ' ' TRP . 2.7 p-90 -154.51 110.55 3.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -43.03 159.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 424' ' ' LEU . . . . . 0.485 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.0 tp -127.85 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 425' ' ' ASP . . . . . 0.485 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 68.0 t0 -87.32 -49.84 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -129.8 30.71 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.65 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 429' ' ' ALA . . . . . 0.479 ' CB ' ' CE2' ' B' ' 422' ' ' TRP . . . -124.01 172.87 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 430' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.15 161.67 35.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 431' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.08 126.41 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.508 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.5 mp -103.32 113.64 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.604 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' B' ' 450' ' ' SER . 47.9 mt -102.88 143.19 32.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 434' ' ' ILE . . . . . 0.467 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.68 119.88 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -122.57 127.51 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 436' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.14 119.59 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.21 40.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.627 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.15 179.48 45.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.68 128.07 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.879 0.371 . . . . 0.0 110.522 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.83 75.75 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 89.0 p -110.42 -4.27 15.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 0.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.499 ' HZ1' ' HB3' ' C' ' 645' ' ' CYS . 55.1 mmtt -89.14 153.91 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -56.91 -43.8 81.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 444' ' ' ILE . . . . . 0.514 ' CD1' ' OG1' ' A' ' 254' ' ' THR . 9.5 pt -95.15 135.95 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -105.77 154.71 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.74 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 76.5 m -149.47 130.65 14.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 448' ' ' TRP . . . . . 0.511 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.4 t-105 -114.81 116.23 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.47 127.24 54.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.234 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 450' ' ' SER . . . . . 0.467 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.94 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.945 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 451' ' ' ILE . . . . . 0.451 ' O ' HG22 ' B' ' 472' ' ' THR . 45.4 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.254 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 452' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.2 m-70 -108.67 132.41 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.82 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 78.0 t -128.71 95.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.22 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.9 p -96.7 153.59 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -131.82 102.25 5.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.338 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 63.3 t -79.08 139.64 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -123.52 68.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.447 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -40.28 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.632 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 459' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' B' ' 464' ' ' THR . 88.3 tttt -109.35 142.01 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.04 -54.09 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.77 146.52 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 462' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.36 -12.75 47.88 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 463' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 463' ' ' ARG . 69.4 mtm-85 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 464' ' ' THR . . . . . 0.547 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.8 t -82.28 123.64 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.71 151.86 32.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -92.96 126.57 38.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -103.14 139.49 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.89 86.12 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 469' ' ' LEU . . . . . 0.562 ' CD1' ' H ' ' B' ' 470' ' ' THR . 29.4 tp -82.13 157.56 24.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 470' ' ' THR . . . . . 0.562 ' H ' ' CD1' ' B' ' 469' ' ' LEU . 80.7 m -157.84 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.105 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 471' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 64.6 p -64.63 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.092 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 472' ' ' THR . . . . . 0.451 HG22 ' O ' ' B' ' 451' ' ' ILE . 0.2 OUTLIER -168.73 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.143 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 473' ' ' VAL . . . . . 0.55 ' O ' ' OG ' ' B' ' 492' ' ' SER . 7.7 p -69.74 143.79 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 474' ' ' MET . . . . . 0.559 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.6 ttt -124.78 96.01 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.166 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 46.1 tp -86.64 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 130.31 51.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 29.4 mt -137.43 124.67 21.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.743 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.19 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 72.8 m -163.44 127.46 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.642 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 480' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.15 73.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttm -107.61 146.68 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 53.0 p -57.28 -46.03 83.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 483' ' ' GLY . . . . . 0.434 ' H ' ' HG2' ' B' ' 481' ' ' LYS . . . -63.55 -25.33 68.66 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 484' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 486' ' ' THR . 34.7 p -125.88 14.83 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 110.607 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.59 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 486' ' ' THR . . . . . 0.528 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 12.6 p -125.97 113.97 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.499 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 22.8 ttp -125.09 118.07 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -118.98 123.98 45.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 489' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.8 tp -131.66 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.87 21.78 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 491' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.67 11.08 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 492' ' ' SER . . . . . 0.559 ' HB2' ' HA ' ' B' ' 474' ' ' MET . 24.7 t 163.27 135.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 493' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' B' ' 493' ' ' LEU . 4.1 mm? -110.59 149.45 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 494' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 56.6 m -127.09 142.84 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -149.91 128.69 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.701 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 496' ' ' GLN . . . . . 0.609 ' N ' ' NE2' ' B' ' 496' ' ' GLN . 1.4 mp0 -92.82 160.59 14.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 27.3 ttt -160.09 130.44 5.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 498' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.6 pm0 -133.53 141.61 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -172.21 145.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 500' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.1 p-10 -91.31 125.23 36.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.66 160.18 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.26 131.82 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.62 122.42 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 92.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.94 -35.87 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 506' ' ' SER . . . . . 0.436 ' O ' ' OD1' ' A' ' 272' ' ' ASN . 78.1 p -83.63 -19.81 34.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 18.3 t -135.51 73.45 62.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.54 -172.6 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.8 2.333 . . . . 0.0 112.171 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -58.77 -62.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 67.4 mt -42.77 -48.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.24 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.585 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.97 -48.17 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.06 -33.63 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.599 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 514' ' ' GLY . . . . . 0.616 ' HA3' ' CE2' ' A' ' 271' ' ' TRP . . . -66.71 -46.54 74.6 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -57.38 -44.36 84.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.692 0.282 . . . . 0.0 110.675 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.24 -52.46 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.543 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.45 -47.24 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.621 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -57.87 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 519' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.4 t0 -63.56 -37.43 87.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.739 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.6 tpp -64.44 -49.38 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 521' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 524' ' ' ILE . 5.4 tp10 -62.61 -45.29 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.705 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 522' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 28.5 t-20 -56.88 -41.44 78.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.58 -38.52 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 524' ' ' ILE . . . . . 0.461 HG23 ' O ' ' B' ' 521' ' ' GLU . 2.4 tp -74.35 -24.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 525' ' ' ARG . . . . . 0.629 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.63 66.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 526' ' ' SER . . . . . 0.547 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.0 t -85.02 -38.77 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.694 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 11.8 m -66.0 -35.77 81.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 528' ' ' LEU . . . . . 0.751 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 3.0 mm? -65.01 -42.31 94.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 529' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' B' ' 525' ' ' ARG . 54.6 m-20 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.645 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 530' ' ' GLU . . . . . 0.966 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.38 -54.47 7.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 531' ' ' ILE . . . . . 0.47 HG21 HD13 ' B' ' 531' ' ' ILE . 48.8 mm -64.39 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 532' ' ' TYR . . . . . 0.751 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 6.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 533' ' ' PHE . . . . . 0.634 ' HB3' ' OG ' ' A' ' 251' ' ' SER . 0.2 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . 0.966 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.08 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 535' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' B' ' 536' ' ' THR . 8.7 ttmm -56.93 -68.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.461 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.6 m -34.73 -58.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -50.37 -53.26 30.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -53.21 -44.93 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.77 -36.06 71.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.42 -42.0 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.71 -17.23 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.39 -27.4 48.28 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . 0.444 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.6 mt -68.07 -51.46 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.747 0.308 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 544' ' ' ARG . . . . . 0.782 ' HG2' ' H ' ' B' ' 545' ' ' SER . 24.4 ttt180 -141.8 170.09 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.697 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 545' ' ' SER . . . . . 0.782 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 11.2 t -142.2 137.87 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 546' ' ' ILE . . . . . 0.403 HG13 ' N ' ' B' ' 547' ' ' ASP . 9.6 pt -69.05 -43.49 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 547' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 547' ' ' ASP . 50.6 p-10 -82.88 138.59 33.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 548' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.06 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 551' ' ' ASP . 18.8 mt -79.44 112.67 30.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.4 Cg_exo -46.48 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.897 2.398 . . . . 0.0 112.077 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.573 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.28 145.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.63 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 552' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 31.5 p30 -129.88 116.19 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.29 -24.8 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.638 ' HG3' ' H ' ' B' ' 555' ' ' TYR . 12.9 ptmt -52.56 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 555' ' ' TYR . . . . . 0.638 ' H ' ' HG3' ' B' ' 554' ' ' LYS . 91.4 t80 -45.16 -56.67 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.53 -46.91 83.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.88 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.8 -30.31 51.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -73.58 -36.39 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -58.15 -40.55 81.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 561' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -67.79 -61.77 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.721 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . 0.878 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 51.9 tp -49.04 -40.67 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.675 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 66.4 m -61.22 -76.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 563' ' ' SER . 99.3 mm-40 -36.78 -13.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.878 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.5 t -72.14 -42.71 67.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 563' ' ' SER . 53.5 mt -81.47 -35.6 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.6 p -70.23 -19.6 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -117.58 6.66 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 569' ' ' ARG . . . . . 0.946 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 1.0 OUTLIER -160.94 -141.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 570' ' ' GLN . . . . . 0.946 ' HB3' ' O ' ' B' ' 569' ' ' ARG . 0.0 OUTLIER 139.74 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 571' ' ' ILE . . . . . 0.8 ' CB ' ' O ' ' B' ' 570' ' ' GLN . 3.1 tp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 601' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' C' ' 601' ' ' MET . 4.8 mpp? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.98 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 603' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' C' ' 604' ' ' LYS . 36.2 p-10 -49.76 -37.87 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 604' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' C' ' 603' ' ' ASP . 97.9 mttt -69.73 -52.17 27.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -55.08 -28.95 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -75.68 -53.63 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 607' ' ' MET . . . . . 0.465 ' SD ' ' HG ' ' C' ' 632' ' ' LEU . 9.5 mtt -72.74 -36.83 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -56.82 -15.97 5.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 609' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.65 13.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.23 1.97 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 611' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' C' ' 609' ' ' ALA . 87.8 tttt -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.35 -4.24 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 613' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.0 21.87 58.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 614' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' C' ' 617' ' ' GLU . 7.4 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.515 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 615' ' ' LEU . . . . . 0.738 HD22 ' O ' ' C' ' 615' ' ' LEU . 2.7 tm? -45.0 -17.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 616' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.9 m-20 -77.68 -27.54 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 617' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' C' ' 614' ' ' ASP . 54.7 mm-40 -81.44 -49.91 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.85 -28.35 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -66.2 -21.86 66.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 620' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -75.38 -45.39 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 621' ' ' TYR . . . . . 0.508 ' CE2' ' OD2' ' C' ' 627' ' ' ASP . 53.1 t80 -60.98 -59.17 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -27.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.561 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 623' ' ' ALA . . . . . . . . . . . . . . . -56.73 -16.76 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.78 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 625' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.89 82.35 0.1 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 626' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' C' ' 625' ' ' GLY . 5.1 pt-20 34.24 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 627' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' C' ' 621' ' ' TYR . 45.7 p30 -141.02 62.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 628' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' C' ' 628' ' ' VAL . 20.1 m -122.0 76.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -173.04 5.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 630' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' C' ' 630' ' ' ARG . 80.0 mtt-85 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 631' ' ' THR . . . . . 0.498 ' O ' ' C ' ' C' ' 632' ' ' LEU . 68.2 p -82.08 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 632' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' C' ' 631' ' ' THR . 15.3 tp -31.3 -88.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.477 ' H ' ' HB3' ' C' ' 632' ' ' LEU . 95.8 mt-10 -71.69 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.65 -11.39 0.07 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 635' ' ' GLY . . . . . 0.528 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 636' ' ' ARG . . . . . 0.723 ' NE ' ' NZ ' ' A' ' 256' ' ' LYS . 19.0 ttm180 -127.88 164.95 21.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 637' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.0 OUTLIER -108.45 157.01 37.64 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.66 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.862 2.374 . . . . 0.0 112.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 639' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.73 -16.31 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 640' ' ' HIS . . . . . 0.549 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 33.4 t-80 -75.21 -43.88 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 641' ' ' TYR . . . . . 0.622 ' CE2' ' NH1' ' C' ' 636' ' ' ARG . 25.6 m-85 -71.7 -36.0 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.483 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 642' ' ' ALA . . . . . 0.669 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -45.01 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.46 62.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 644' ' ' ASP . . . . . 0.549 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 75.3 m-20 -60.6 -35.67 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.532 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 645' ' ' CYS . . . . . 0.499 ' HB3' ' HZ1' ' B' ' 442' ' ' LYS . 2.2 p -160.91 65.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 646' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.05 34.1 4.46 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 647' ' ' GLN . . . . . 0.585 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.9 mt-30 51.68 4.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 648' ' ' LEU . . . . . 0.856 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.59 6.97 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.587 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -115.72 -12.6 11.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 650' ' ' ILE . . . . . 0.459 ' O ' HD23 ' C' ' 654' ' ' LEU . 1.1 mm -87.55 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 1.097 HD23 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.27 -52.96 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 652' ' ' GLU . . . . . 1.097 ' H ' HD23 ' C' ' 651' ' ' LEU . 66.9 mm-40 -56.2 -22.62 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.87 -97.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 654' ' ' LEU . . . . . 0.635 HD23 ' H ' ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.43 6.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 15.5 tp -102.91 -47.94 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.27 -25.38 64.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -72.75 -90.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 658' ' ' GLY . . . . . 0.409 ' H ' HG21 ' C' ' 628' ' ' VAL . . . -65.28 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 659' ' ' ALA . . . . . 0.744 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.506 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 660' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.44 10.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 661' ' ' ILE . . . . . 0.744 ' H ' ' C ' ' C' ' 659' ' ' ALA . 3.1 tp -66.02 1.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 662' ' ' ASN . . . . . 1.062 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.9 p30 -163.65 -18.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 663' ' ' ALA . . . . . 0.77 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.18 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 664' ' ' PRO . . . . . 1.062 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.2 Cg_exo -46.95 120.83 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.902 2.402 . . . . 0.0 112.106 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 665' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 26.9 p-10 -125.93 -50.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 666' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 32.9 ttmt -78.89 -16.11 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 667' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.2 m80 -80.49 -6.25 57.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 16.1 tt -176.91 147.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 670' ' ' THR . . . . . 0.401 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.71 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 671' ' ' PRO . . . . . 0.519 ' O ' ' OG ' ' C' ' 674' ' ' SER . 53.2 Cg_endo -72.52 -30.49 12.18 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.82 2.346 . . . . 0.0 112.11 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 672' ' ' LEU . . . . . 0.481 ' CD2' ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.32 -49.11 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.517 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 673' ' ' LEU . . . . . 0.617 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.2 mp -67.88 -27.79 66.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.529 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 674' ' ' SER . . . . . 0.6 ' HA ' ' CE2' ' C' ' 677' ' ' TYR . 17.7 p -51.77 -40.9 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 675' ' ' ALA . . . . . 0.507 ' N ' ' HG ' ' C' ' 674' ' ' SER . . . -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 676' ' ' VAL . . . . . 0.617 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.8 t -47.13 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 677' ' ' TYR . . . . . 0.601 ' O ' ' HD1' ' C' ' 677' ' ' TYR . 33.7 p90 -77.89 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 678' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' C' ' 676' ' ' VAL . 33.3 tp10 -124.56 -28.64 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.23 -11.35 72.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 5.9 m-70 -71.9 -53.56 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 681' ' ' VAL . . . . . 0.676 ' O ' HG22 ' C' ' 684' ' ' VAL . 1.4 t 43.28 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.626 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.38 -24.31 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 684' ' ' VAL . . . . . 0.676 HG22 ' O ' ' C' ' 681' ' ' VAL . 2.3 m -41.89 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 685' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' C' ' 687' ' ' LEU . 53.9 tttp -62.55 -73.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 1.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 687' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' C' ' 685' ' ' LYS . 24.0 tp -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.62 -21.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.3 m -55.71 -21.6 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -99.64 -6.24 27.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.76 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 692' ' ' ALA . . . . . 0.538 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.2 18.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 44.2 t0 33.16 -128.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.581 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 694' ' ' LYS . . . . . 0.539 ' H ' ' CG ' ' C' ' 693' ' ' ASP . 62.6 pttt -152.56 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 695' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' C' ' 695' ' ' THR . 8.2 t -156.57 73.48 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.41 -29.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -140.12 23.6 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.74 20.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 699' ' ' PRO . . . . . 0.644 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.76 -27.74 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.813 2.342 . . . . 0.0 112.184 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 700' ' ' ASP . . . . . 0.644 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 3.8 m-20 157.73 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' C' ' 705' ' ' LEU . . . -84.85 0.39 89.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 702' ' ' LEU . . . . . 0.636 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.81 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 703' ' ' THR . . . . . 0.636 ' C ' ' O ' ' C' ' 702' ' ' LEU . 14.5 p 16.23 -95.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 704' ' ' ALA . . . . . 0.454 ' HA ' ' HB1' ' C' ' 707' ' ' ALA . . . -106.63 -18.63 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 705' ' ' LEU . . . . . 0.571 ' HB3' ' O ' ' C' ' 701' ' ' GLY . 2.7 tt -62.88 -75.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.609 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.8 15.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.51 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 707' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 54.9 p -139.79 -142.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -148.86 -4.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -72.61 151.82 42.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -71.51 -20.52 62.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.19 -60.39 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.01 -37.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -52.07 -29.89 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.26 14.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 716' ' ' LEU . . . . . 0.808 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 717' ' ' LEU . . . . . 0.808 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 0.8 OUTLIER 124.15 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 718' ' ' GLN . . . . . 0.731 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 4.9 tp-100 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.475 HH11 ' HG2' ' A' ' 7' ' ' ARG . 74.3 mtt-85 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.07 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.782 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.9 p -45.93 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.98 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.47 -39.33 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -67.57 -40.95 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.634 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -63.69 -35.9 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.22 -43.81 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.52 -39.74 92.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 16' ' ' ILE . 90.5 mt -65.44 -47.36 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.95 75.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.56 75.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.97 -41.34 91.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -65.14 -44.86 87.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.678 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.422 HD11 HG23 ' A' ' 21' ' ' ILE . 96.8 mt -66.66 -46.46 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.544 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 67.0 p -75.99 8.4 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.614 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.71 15.33 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.96 81.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.523 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.21 167.48 21.9 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.844 2.363 . . . . 0.0 112.037 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.87 116.15 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.785 2.323 . . . . 0.0 112.153 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.44 35.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.537 ' OE1' ' NH1' ' B' ' 315' ' ' ARG . 42.6 mt-10 -149.27 37.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -73.99 -48.76 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.04 -57.44 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.547 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 41.4 mp0 -44.47 -54.46 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.74 -42.57 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.06 -37.87 81.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.13 -42.03 96.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -67.07 -41.9 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.27 -54.86 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.29 -34.78 72.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.26 -49.69 26.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.77 -32.57 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.7 t30 46.56 49.76 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.539 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 28.2 t-20 -168.69 79.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -51.86 -37.89 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -54.18 -44.22 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.8 mt -77.2 -30.86 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.77 -38.66 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.18 -35.61 80.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.566 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -40.95 -59.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.69 0.92 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.12 -56.81 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.46 87.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.33 -36.97 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.631 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.46 -54.45 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.53 -56.59 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.64 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.4 tp60 -33.6 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -59.99 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -46.97 -30.93 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.549 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.1 ttp -68.9 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.85 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.7 mm-40 -124.56 24.8 7.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.87 44.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.489 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' GLN . 24.1 m -58.8 111.36 3.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.7 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.92 2.413 . . . . 0.0 112.182 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 12.4 p -109.38 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 23.4 ttpp -125.2 103.97 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.526 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.659 ' O ' ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.56 148.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.659 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.535 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.41 75.16 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.788 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.49 14.78 2.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.631 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.606 ' C ' ' O ' ' A' ' 70' ' ' TYR . 31.6 t70 20.17 39.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 1.072 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.4 OUTLIER -98.77 19.39 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.706 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.0 mm100 -0.24 50.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.487 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.072 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.54 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 47.4 mt -113.36 152.31 30.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.426 HD12 HG21 ' A' ' 76' ' ' ILE . 96.4 mt -104.05 105.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.18 -176.91 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.83 -31.27 45.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -64.03 -23.54 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.64 50.51 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.52 100.03 11.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.344 . . . . 0.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -51.48 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.74 25.36 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -116.04 1.19 13.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.825 0.345 . . . . 0.0 110.634 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.23 -15.79 9.3 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' A' ' 107' ' ' ASP . 14.7 mtt-85 -108.4 168.74 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.1 m-85 -114.57 -170.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.9 tp -118.31 157.32 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.692 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.0 t0 -139.29 89.0 12.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.8 Cg_endo -60.96 -36.7 81.77 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.855 2.37 . . . . 0.0 112.022 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -59.47 -75.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.676 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 t-20 -76.53 -20.34 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.51 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.692 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 29.1 mttp 62.77 62.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.518 ' CD1' ' OD1' ' A' ' 92' ' ' ASN . 23.5 pt -146.43 154.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.82 ' O ' ' N ' ' A' ' 109' ' ' GLN . 1.5 t -92.64 132.99 36.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.729 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.8 p90 -140.1 136.68 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.459 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 73.7 tttt -88.73 113.42 24.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.847 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 47.9 t80 -82.71 133.1 35.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.676 ' H ' ' HB2' ' A' ' 105' ' ' ALA . 8.7 t70 -104.51 90.07 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.581 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.565 ' ND1' ' H ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.44 -67.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 mp -47.52 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 99' ' ' ASP . 86.7 mtm180 -52.8 156.32 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -88.94 2.37 53.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.847 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.862 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 63.3 m -95.56 -164.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.862 ' OD1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 73.72 54.54 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.81 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.2 Cg_endo -73.53 -177.82 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.801 2.334 . . . . 0.0 112.081 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.0 OUTLIER -160.09 124.56 2.11 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.483 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.18 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.86 2.373 . . . . 0.0 112.04 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -122.87 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -75.52 88.45 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.4 p -46.93 164.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.07 -30.08 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.94 35.62 1.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.5 tp -104.1 3.36 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.734 ' HZ2' HH21 ' A' ' 121' ' ' ARG . 10.6 mmpt? -53.97 -41.89 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 94.9 mt-30 -39.25 -55.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -62.54 -47.62 83.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.734 HH21 ' HZ2' ' A' ' 118' ' ' LYS . 5.5 tmm_? -53.91 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.568 ' C ' ' O ' ' A' ' 121' ' ' ARG . 99.6 m-20 -25.5 -45.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.99 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.413 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.2 t70 -40.38 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 31.6 m -48.02 -46.16 32.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.501 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.32 -51.41 34.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -72.84 -12.25 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.628 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.41 -32.7 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.631 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.611 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.74 -38.8 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.504 ' C ' ' H ' ' A' ' 134' ' ' ASP . 93.8 t -74.72 -40.54 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 49.9 tttm -76.12 25.95 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.631 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.515 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.6 m-20 -147.55 7.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -151.07 -21.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.527 ' OH ' ' CE2' ' A' ' 173' ' ' TRP . 85.5 m-85 -114.66 106.43 52.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.58 -57.19 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.833 2.355 . . . . 0.0 112.045 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -127.57 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.91 163.62 12.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -135.05 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 110.599 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.9 m -161.41 97.37 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 40.8 t -75.73 143.39 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.562 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 54.8 m-85 -120.21 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.73 84.56 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -123.81 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 38.4 t -107.61 115.39 30.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.541 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.499 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 20.5 mt -91.14 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.51 ' O ' ' OD2' ' A' ' 149' ' ' ASP . 4.4 p-10 46.64 54.18 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.73 4.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.78 129.84 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.651 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.61 ' H ' HG23 ' A' ' 181' ' ' ILE . 22.7 mt-30 -85.8 150.47 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.436 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.939 ' OG1' ' HA ' ' A' ' 180' ' ' THR . 99.2 m -155.21 146.23 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . 0.565 ' N ' HG21 ' A' ' 153' ' ' THR . 6.5 mt -108.53 110.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.403 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.562 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 85.5 mt -98.05 117.01 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.83 116.05 27.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 47.1 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.0 mt -122.71 137.69 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.253 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.37 151.91 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.986 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.744 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.91 121.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.673 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.9 p-80 -140.64 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.992 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.6 mm-40 -148.63 77.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.207 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.673 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.4 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.524 ' OE1' ' ND2' ' A' ' 167' ' ' ASN . 1.3 tm0? -167.99 66.01 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' PRO . . . . . 0.687 ' C ' ' H ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.59 -52.18 4.16 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.839 2.36 . . . . 0.0 112.141 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.459 ' C ' HD21 ' A' ' 167' ' ' ASN . 64.0 mttp -43.85 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.466 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . 0.687 ' H ' ' C ' ' A' ' 165' ' ' PRO . 1.2 m-80 -121.96 -10.5 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.46 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.83 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.4 m-85 70.07 80.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.83 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.7 p-90 158.8 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.96 162.32 33.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.86 163.15 29.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.579 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.8 ttp180 -165.69 136.7 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' TRP . . . . . 0.744 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.5 t-105 -107.61 138.91 42.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.83 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -125.35 152.27 44.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.179 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.456 ' HB2' ' NE1' ' A' ' 173' ' ' TRP . 1.0 OUTLIER -166.33 111.12 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.058 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.678 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 43.8 tt0 -116.41 124.7 50.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.076 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . 0.673 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.9 m95 -120.59 116.87 26.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.953 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.56 119.8 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.701 ' O ' ' HA ' ' A' ' 153' ' ' THR . 34.9 m-85 -117.48 88.56 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.939 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 16.6 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' ILE . . . . . 0.687 ' O ' ' OG1' ' A' ' 182' ' ' THR . 9.6 tp -164.31 151.34 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.932 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.48 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 1.084 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 79.7 Cg_exo -34.33 12.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.416 2.744 . . . . 0.0 112.712 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . 0.932 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 61.6 Cg_endo -79.83 -4.29 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.855 2.37 . . . . 0.0 112.153 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' THR . . . . . 1.06 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 1.092 ' HB2' ' C ' ' A' ' 216' ' ' VAL . . . 65.84 131.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.941 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 1.103 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 28.1 mp0 -106.73 -115.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.249 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.847 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.65 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' ALA . . . . . 0.764 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.8 111.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 176' ' ' GLU . . . -136.49 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.44 ' CG2' ' OD1' ' A' ' 211' ' ' ASP . 3.5 p -165.77 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' LEU . . . . . 0.707 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 2.4 mp -85.57 157.83 20.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -150.33 147.78 28.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 194' ' ' ILE . 2.3 mt -149.42 134.08 9.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.276 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.34 130.31 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.904 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.69 136.63 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.159 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . 0.775 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.4 t-160 -126.52 141.56 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.927 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.52 87.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.779 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.8 p90 -100.09 87.79 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.8 tt0 -129.46 52.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.334 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.9 m-20 114.82 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.401 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.68 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -172.84 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.02 129.13 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.7 mt-30 -136.73 154.16 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 12.4 tp -122.32 87.16 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.6 t -89.98 122.19 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 53.3 p -149.58 147.2 27.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' HIS . . . . . 0.461 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 33.8 p80 -157.84 145.13 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.19 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -135.46 129.01 32.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.866 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' ASP . . . . . 0.44 ' OD1' ' CG2' ' A' ' 191' ' ' VAL . 65.7 m-20 -103.56 129.83 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 2.0 mp -127.13 154.93 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.913 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -150.23 102.67 3.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' ASP . . . . . 0.639 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 35.2 t70 -118.83 166.1 13.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.72 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' SER . . . . . 1.103 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 83.6 p -117.79 103.39 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' VAL . . . . . 1.092 ' C ' ' HB2' ' A' ' 186' ' ' ALA . 2.8 p -91.95 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' GLN . . . . . 1.06 ' HA ' ' O ' ' A' ' 185' ' ' THR . 84.1 mt-30 -102.68 128.03 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' VAL . . . . . 1.084 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 67.3 t -85.99 137.52 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.615 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.903 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.04 -98.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' SER . . . . . 0.491 ' O ' ' CG2' ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.24 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.3 p-10 -86.82 -62.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.512 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 91.7 t -70.06 -24.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.95 -56.78 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.903 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.8 p -54.59 -36.93 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.431 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.58 -57.05 14.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.465 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.372 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -67.6 -38.8 84.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.414 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -67.73 -53.92 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.19 -27.27 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.573 ' HZ1' HD22 ' A' ' 234' ' ' ASN . 66.2 tttm -74.89 -36.75 62.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.337 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.52 -41.14 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 232' ' ' ILE . . . . . 0.607 ' O ' ' HG2' ' A' ' 236' ' ' GLU . 51.5 mt -70.12 -44.49 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.393 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 234' ' ' ASN . 4.5 tm-20 -57.06 -47.02 81.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.495 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 234' ' ' ASN . . . . . 0.573 HD22 ' HZ1' ' A' ' 230' ' ' LYS . 99.0 m-20 -69.58 -43.93 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.86 61.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.475 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 236' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 232' ' ' ILE . 76.5 mm-40 -60.24 -44.09 95.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 237' ' ' ASN . . . . . 0.54 ' ND2' ' C ' ' A' ' 237' ' ' ASN . 0.3 OUTLIER -60.09 -40.15 88.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.409 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -69.86 -34.22 73.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -68.54 -44.41 74.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -68.14 -39.02 82.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 17.5 p -61.42 -45.79 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 243' ' ' ILE . . . . . 0.429 HD12 HG21 ' A' ' 243' ' ' ILE . 40.5 mt -69.15 -47.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.552 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 39.0 t -60.66 -34.25 74.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.88 -42.93 84.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 246' ' ' ASN . . . . . 0.587 HD22 ' CB ' ' B' ' 484' ' ' SER . 51.2 m-20 -62.13 -34.61 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.496 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 247' ' ' TYR . . . . . 0.586 ' CE2' ' NZ ' ' B' ' 537' ' ' LYS . 0.0 OUTLIER -64.92 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.28 -50.85 19.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 249' ' ' THR . . . . . 0.548 ' O ' ' HB ' ' A' ' 253' ' ' THR . 45.7 p -64.76 -34.84 79.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.574 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 250' ' ' MET . . . . . 0.467 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.2 ptp -72.88 -14.43 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.9 p -113.06 -10.06 13.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 252' ' ' ASP . . . . . 0.656 ' O ' ' OG1' ' A' ' 253' ' ' THR . 54.5 t0 -132.16 47.77 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 253' ' ' THR . . . . . 0.656 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.1 m 175.71 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 254' ' ' THR . . . . . 0.482 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 6.8 m -53.48 -61.3 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -47.65 -57.55 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -64.18 -11.76 33.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.23 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 95.4 mt -77.97 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 259' ' ' ARG . . . . . 0.708 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 2.9 ttt180 -98.65 174.47 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 260' ' ' ARG . . . . . 0.708 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 49.1 mtp180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.77 -11.21 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.66 133.27 3.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 263' ' ' PRO . . . . . 0.723 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.94 135.4 7.82 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.92 2.414 . . . . 0.0 112.098 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 264' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 263' ' ' PRO . 10.5 p -37.75 -39.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 63.1 p -64.19 -5.42 4.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 85.6 mtm180 54.18 55.52 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.4 t 173.31 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 63.9 mttp -16.8 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.575 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 269' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.7 OUTLIER -50.37 158.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . 0.81 ' O ' ' N ' ' A' ' 273' ' ' LYS . 84.2 m-20 -117.07 58.52 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 271' ' ' TRP . . . . . 0.61 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.0 m95 -21.44 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.654 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 270' ' ' ASP . 17.4 t-20 -44.6 -25.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . 1.201 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -100.0 -7.7 24.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.601 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 274' ' ' ILE . . . . . 0.61 ' N ' ' O ' ' A' ' 271' ' ' TRP . 58.8 mt -103.12 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.626 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . 0.717 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.7 mt -111.12 44.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 276' ' ' SER . . . . . 1.285 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.8 p 141.93 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 1.201 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.2 t80 -30.97 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 278' ' ' LYS . . . . . 1.285 ' N ' ' O ' ' A' ' 276' ' ' SER . 13.7 mptt -107.71 80.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.573 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 1.076 ' O ' ' O ' ' A' ' 280' ' ' GLY . 17.8 mm 54.26 3.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 280' ' ' GLY . . . . . 1.076 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.58 -135.16 0.0 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.525 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 302' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 28.9 t . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -42.71 -51.27 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -55.33 -34.13 63.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 305' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.72 -49.08 78.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.28 -40.6 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 99.2 m -68.2 -37.11 80.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.351 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.34 -38.41 84.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.368 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.29 -33.68 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.364 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.75 -43.77 75.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.2 mmm -64.37 -25.62 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.394 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 315' ' ' ARG . . . . . 0.594 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.6 mtt-85 -100.11 -46.87 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.69 147.73 95.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.618 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.65 128.4 21.03 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.828 2.352 . . . . 0.0 112.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.41 -4.09 14.29 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.858 2.372 . . . . 0.0 112.079 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . 0.477 ' NE2' ' CG ' ' B' ' 488' ' ' ASN . 79.2 mt-30 -80.53 -17.81 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -123.96 39.53 3.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.38 -40.89 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 322' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' B' ' 322' ' ' GLU . 3.2 mp0 -59.68 -60.87 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.62 -54.39 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -54.71 -55.77 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.443 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.52 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 43.9 tp -47.12 -48.95 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.422 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.9 t -57.1 -49.68 75.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.33 -40.71 97.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.55 -41.07 72.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.486 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' ILE . . . . . 0.425 HD11 HG23 ' B' ' 329' ' ' ILE . 96.8 mt -65.45 -41.19 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.434 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -57.75 -38.02 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.25 -29.07 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.369 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.15 -5.54 15.04 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.708 2.272 . . . . 0.0 112.056 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 94.1 p -89.36 -6.38 56.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 99.0 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 12.2 t -64.13 -55.85 18.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.35 -50.43 73.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.73 -36.16 73.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.488 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 61.3 mt -79.08 -28.64 43.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.56 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' LEU . . . . . 0.649 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.5 mt -81.49 12.41 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 52.9 p -144.12 -3.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.0 p -119.4 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.83 120.1 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -87.84 128.69 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.52 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.33 165.93 29.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.527 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.52 125.27 5.97 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.794 2.33 . . . . 0.0 112.124 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.63 122.48 17.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -88.64 148.82 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.447 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.9 pt -102.96 136.4 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.725 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' ALA . . . . . 0.733 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.72 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.439 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -114.36 143.29 45.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 68.1 t0 -111.86 81.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.512 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 66.5 mmtt -37.26 -62.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 98.0 t -39.52 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.0 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.17 24.66 70.74 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' B' ' 352' ' ' ASP . 29.2 tptt -115.03 154.88 28.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.598 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 358' ' ' ASP . . . . . 0.733 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 39.3 p30 -94.75 143.05 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . 0.689 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.5 p90 -139.68 135.71 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 360' ' ' LEU . . . . . 0.6 ' H ' ' HG ' ' B' ' 418' ' ' SER . 58.8 mt -69.17 156.61 38.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' B' ' 365' ' ' ASN . 66.9 mt -108.5 158.62 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 362' ' ' CYS . . . . . 0.435 ' O ' ' OD1' ' B' ' 365' ' ' ASN . 24.5 p -168.26 168.62 11.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 363' ' ' ASP . . . . . 0.649 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.8 t70 -75.47 -10.27 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 364' ' ' TYR . . . . . 0.608 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 44.5 m-85 -88.37 -18.18 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 365' ' ' ASN . . . . . 0.486 HD21 ' HH ' ' B' ' 420' ' ' TYR . 35.1 p-10 -123.28 24.82 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 366' ' ' ARG . . . . . 0.432 ' CD ' ' CZ ' ' B' ' 371' ' ' TYR . 30.6 ttp180 -119.93 129.86 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.2 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.02 -98.72 1.74 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.3 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.545 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 370' ' ' SER . . . . . 1.017 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.39 161.31 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 371' ' ' TYR . . . . . 1.08 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.6 m-85 -118.29 150.79 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . 0.586 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.0 ttp180 -98.71 124.69 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 373' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 32.9 t -79.53 133.76 59.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.9 -14.77 19.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.831 2.354 . . . . 0.0 112.223 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 375' ' ' TRP . . . . . 0.537 ' H ' ' HG ' ' B' ' 373' ' ' SER . 54.7 m95 -85.85 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.4 p -83.17 -18.6 38.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 377' ' ' ASN . . . . . 0.638 ' ND2' ' NE ' ' B' ' 394' ' ' ARG . 34.2 t30 70.27 40.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -141.56 137.89 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 379' ' ' TYR . . . . . 1.08 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 35.8 m-85 -65.72 140.47 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 380' ' ' ASP . . . . . 0.767 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -52.02 -60.42 6.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 381' ' ' PRO . . . . . 1.017 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.7 Cg_exo -65.42 120.03 7.16 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.001 2.467 . . . . 0.0 112.32 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.58 79.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.032 2.488 . . . . 0.0 112.233 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.57 177.55 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.52 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . 0.574 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 97.4 mt-10 -111.66 -72.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -117.01 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.525 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 387' ' ' ALA . . . . . 0.57 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.98 127.26 30.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 0.0 110.632 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.6 mtm -132.23 148.6 70.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.98 150.76 49.34 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.746 2.298 . . . . 0.0 112.17 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 93.8 p -52.72 142.9 17.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -67.92 -37.81 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 52.9 tp -70.82 -42.49 70.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.638 ' NE ' ' ND2' ' B' ' 377' ' ' ASN . 43.4 ttm180 -55.29 -36.84 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -63.53 -46.57 85.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.336 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.37 -32.02 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 397' ' ' GLU . . . . . 0.549 ' CD ' HH22 ' B' ' 372' ' ' ARG . 43.0 tt0 -67.8 -38.04 82.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.06 -40.28 88.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -37.03 79.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.92 94.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.394 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 401' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.9 -39.07 93.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.367 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -72.13 -40.4 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.97 79.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.33 -29.2 66.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.416 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 405' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 23.4 m-20 -54.66 -38.85 67.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -77.03 -32.91 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 407' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 407' ' ' TYR . 2.0 t80 -69.74 -18.62 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 408' ' ' ARG . . . . . 0.563 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.2 OUTLIER -83.84 -35.48 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.547 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 409' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 9.7 t0 -85.2 -8.91 58.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 410' ' ' LEU . . . . . 0.648 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 46.4 mt -95.9 -17.87 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 411' ' ' TYR . . . . . 0.723 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.88 -38.08 3.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.547 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.6 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 63.47 24.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.52 25.5 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 415' ' ' GLY . . . . . 0.563 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.42 -163.49 52.91 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 15.5 t -128.66 153.69 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 19.8 p -143.52 148.52 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.701 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 418' ' ' SER . . . . . 0.6 ' HG ' ' H ' ' B' ' 360' ' ' LEU . 20.3 m -148.22 143.97 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.397 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.83 130.26 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.808 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.537 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.2 m-85 -128.47 132.45 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.69 158.41 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.74 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 422' ' ' TRP . . . . . 0.657 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.6 p90 -154.48 110.53 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -43.01 159.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.633 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 424' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 56.7 mt -127.87 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 425' ' ' ASP . . . . . 0.438 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 98.0 m-20 -87.34 -49.88 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.74 30.69 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.68 -135.63 2.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 429' ' ' ALA . . . . . 0.657 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.97 172.8 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 430' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.76 35.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 431' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.4 p -130.13 126.36 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.33 113.67 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.3 mt -102.92 143.13 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 434' ' ' ILE . . . . . 0.452 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.65 119.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -122.56 127.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 436' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.2 tptm -137.17 119.67 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.536 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.17 40.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.12 179.48 45.25 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 439' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' B' ' 442' ' ' LYS . 62.6 m-20 -50.7 128.08 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.02 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 60.0 m -110.34 -4.28 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.618 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' B' ' 439' ' ' ASP . 0.0 OUTLIER -89.15 153.88 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.541 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 443' ' ' LYS . . . . . 0.431 ' HZ1' ' HG3' ' B' ' 443' ' ' LYS . 52.3 mttp -56.91 -43.82 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 444' ' ' ILE . . . . . 0.444 ' O ' ' HD3' ' B' ' 442' ' ' LYS . 12.8 tt -95.11 135.98 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.716 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.81 154.71 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.365 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.45 24.55 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 3.8 t -149.46 130.61 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.229 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 448' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.0 t-105 -114.77 116.25 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 449' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.47 127.19 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 450' ' ' SER . . . . . 0.6 ' OG ' ' CE1' ' B' ' 452' ' ' HIS . 1.2 t -115.89 122.72 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.0 mt -127.9 100.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.198 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 452' ' ' HIS . . . . . 0.6 ' CE1' ' OG ' ' B' ' 450' ' ' SER . 8.8 m-70 -108.71 132.49 53.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.825 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.7 t -128.74 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.74 153.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -131.83 102.24 5.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 67.5 t -79.09 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.52 68.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.386 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -40.3 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 459' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.3 mmtp -109.33 142.04 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 460' ' ' SER . . . . . 0.559 ' HG ' ' N ' ' B' ' 461' ' ' SER . 78.2 p -48.96 -54.21 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 461' ' ' SER . . . . . 0.559 ' N ' ' HG ' ' B' ' 460' ' ' SER . 78.5 p -126.66 146.52 50.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.541 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 462' ' ' GLY . . . . . 0.562 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.31 -12.79 48.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 59.16 -0.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.625 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 464' ' ' THR . . . . . 0.58 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.5 t -82.21 123.63 29.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.72 151.9 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.737 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 466' ' ' HIS . . . . . 0.52 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.7 t-160 -92.96 126.54 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -103.16 139.48 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.936 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . 0.4 ' CE ' ' NE2' ' B' ' 496' ' ' GLN . 88.0 tttt -135.84 86.14 2.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 469' ' ' LEU . . . . . 0.559 ' CD1' ' H ' ' B' ' 470' ' ' THR . 34.9 tp -82.12 157.49 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 0.0 111.097 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 470' ' ' THR . . . . . 0.559 ' H ' ' CD1' ' B' ' 469' ' ' LEU . 15.7 m -157.8 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.109 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 471' ' ' SER . . . . . 0.565 ' HG ' ' ND1' ' B' ' 452' ' ' HIS . 49.1 m -64.66 174.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.099 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 472' ' ' THR . . . . . 0.546 ' CG2' ' HG1' ' B' ' 494' ' ' THR . 51.5 m -168.76 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.109 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 473' ' ' VAL . . . . . 0.471 HG13 ' CZ2' ' B' ' 448' ' ' TRP . 85.3 t -69.76 143.83 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 474' ' ' MET . . . . . 0.445 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.2 mtp -124.8 96.03 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.16 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 3.6 tp -86.7 131.19 34.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 476' ' ' TRP . . . . . 0.516 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 50.4 m95 -125.31 130.3 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.215 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 4.7 mp -137.36 124.68 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -138.22 158.1 44.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 3.6 m -163.42 127.48 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 480' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 13.8 m120 -108.16 73.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 481' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' B' ' 485' ' ' GLY . 6.5 mmtt -107.56 146.6 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 20.2 m -57.24 -46.0 83.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.59 -25.3 68.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 484' ' ' SER . . . . . 0.587 ' CB ' HD22 ' A' ' 246' ' ' ASN . 74.3 m -125.89 14.82 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.587 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 485' ' ' GLY . . . . . 0.878 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 486' ' ' THR . . . . . 0.461 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 23.8 p -126.0 113.99 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.342 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 487' ' ' MET . . . . . 0.59 ' O ' ' SD ' ' B' ' 487' ' ' MET . 5.0 ppp? -125.14 118.05 25.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 488' ' ' ASN . . . . . 0.477 ' CG ' ' NE2' ' B' ' 319' ' ' GLN . 34.0 t-20 -118.97 124.01 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 489' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 13.2 tp -131.68 76.69 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.83 21.78 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 491' ' ' GLY . . . . . 0.655 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.81 -142.64 11.08 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 492' ' ' SER . . . . . 0.655 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.5 p 163.25 135.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 494' ' ' THR . . . . . 0.546 ' HG1' ' CG2' ' B' ' 472' ' ' THR . 54.6 m -127.11 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -149.98 128.76 12.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.643 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 496' ' ' GLN . . . . . 0.4 ' NE2' ' CE ' ' B' ' 468' ' ' LYS . 45.9 tt0 -92.81 160.54 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 47.1 ttp -160.05 130.42 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.52 141.62 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.24 145.83 1.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 500' ' ' ASP . . . . . 0.52 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 56.5 m-20 -91.31 125.21 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 501' ' ' GLU . . . . . 0.424 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.3 tt0 -120.72 160.22 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.6 m -94.3 131.86 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.66 122.37 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.3 p -142.99 -177.25 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.83 -35.91 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.61 -19.88 34.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 14.2 t -135.5 73.48 62.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.59 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.79 2.327 . . . . 0.0 112.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.75 -62.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.81 -49.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.98 -49.23 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 512' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.5 m-20 -62.99 -48.14 80.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.04 -33.67 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.64 -46.63 74.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.29 -44.32 83.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.24 -52.55 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.39 -47.25 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.88 -51.75 68.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.47 -37.59 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 25.1 tpp -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.53 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 522' ' ' ASN . . . . . 0.423 ' ND2' ' OH ' ' B' ' 411' ' ' TYR . 14.2 m120 -56.93 -41.42 78.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.61 -38.49 73.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 93.4 mt -74.45 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 525' ' ' ARG . . . . . 0.439 ' CG ' HH11 ' B' ' 525' ' ' ARG . 1.5 ttt-85 -68.73 -27.59 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -85.07 -38.73 18.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.649 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 13.5 m -66.04 -35.79 81.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 528' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 46.4 mt -64.98 -42.38 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 529' ' ' ASN . . . . . 0.408 ' ND2' ' C ' ' B' ' 529' ' ' ASN . 0.6 OUTLIER -68.53 -31.3 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 530' ' ' GLU . . . . . 0.959 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.4 -54.45 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 531' ' ' ILE . . . . . 0.428 HG21 HD13 ' B' ' 531' ' ' ILE . 48.8 mm -64.41 -61.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 532' ' ' TYR . . . . . 0.698 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.3 m-85 -50.22 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 533' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.76 40.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . 0.959 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 535' ' ' LYS . . . . . 0.528 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.3 tptm -56.93 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.546 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.445 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.9 m -34.78 -58.04 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 537' ' ' LYS . . . . . 0.586 ' NZ ' ' CE2' ' A' ' 247' ' ' TYR . 74.7 tttt -50.35 -53.24 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -53.26 -44.94 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.72 -36.05 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.42 -41.93 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -69.87 -17.11 63.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.46 -27.29 48.45 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . 0.441 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.2 -51.45 45.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 544' ' ' ARG . . . . . 0.495 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 8.5 ptm180 -141.78 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.683 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 545' ' ' SER . . . . . . . . . . . . . 35.8 t -142.19 137.91 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 546' ' ' ILE . . . . . 0.479 ' CD1' ' OD1' ' A' ' 237' ' ' ASN . 0.9 OUTLIER -69.1 -43.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -82.86 138.6 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.635 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 548' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.07 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 46.8 mm -79.5 112.75 31.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 550' ' ' PRO . . . . . 0.572 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.8 Cg_exo -46.58 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.867 2.378 . . . . 0.0 112.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.1 p-10 -25.28 145.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -129.91 116.17 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -85.3 -24.75 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 558' ' ' LEU . 64.1 mttp -52.55 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.74 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -57.5 -46.91 83.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.781 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -65.78 -29.7 70.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 554' ' ' LYS . 7.0 mp -77.78 -30.37 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -73.55 -36.37 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.15 -40.56 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.787 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 561' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' B' ' 564' ' ' GLN . 97.2 mt-10 -67.87 -61.72 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . 0.865 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.7 mt -49.03 -40.7 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.721 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 563' ' ' SER . . . . . 0.78 ' O ' ' N ' ' B' ' 565' ' ' VAL . 65.4 m -61.15 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.723 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.4 pt20 -36.74 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.865 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.13 -42.66 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.9 mt -81.5 -35.55 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.27 -19.6 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.58 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -117.53 6.69 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 569' ' ' ARG . . . . . 0.761 ' O ' ' HB2' ' B' ' 570' ' ' GLN . 21.2 ttm180 -161.02 -141.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 570' ' ' GLN . . . . . 0.859 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 50.1 tt0 139.8 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 571' ' ' ILE . . . . . 0.859 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 56.7 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 21.5 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 15.0 m 62.12 5.96 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -49.8 -37.83 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.521 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 604' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' C' ' 608' ' ' TRP . 5.0 mtmp? -69.67 -52.19 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -55.16 -28.91 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -75.62 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 607' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' C' ' 641' ' ' TYR . 38.7 ttp -72.79 -36.81 67.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 608' ' ' TRP . . . . . 0.423 ' N ' ' O ' ' C' ' 604' ' ' LYS . 78.1 t90 -56.76 -16.01 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 609' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.63 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.29 1.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 611' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' C' ' 609' ' ' ALA . 7.0 tmtt? -102.08 -66.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 612' ' ' ASN . . . . . 0.622 HD21 ' N ' ' C' ' 612' ' ' ASN . 0.8 OUTLIER -70.36 -4.26 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 613' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.07 21.84 58.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 614' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' C' ' 617' ' ' GLU . 2.6 t70 -63.87 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 110.555 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 615' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' C' ' 613' ' ' GLY . 1.8 pp -44.94 -18.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.584 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 616' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' C' ' 616' ' ' ASP . 5.0 p-10 -77.69 -27.56 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 617' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' C' ' 614' ' ' ASP . 45.7 tp10 -81.55 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.57 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 618' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' C' ' 615' ' ' LEU . 1.9 m -62.88 -28.39 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.16 -21.88 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 620' ' ' ASP . . . . . 0.551 ' O ' ' HB1' ' C' ' 623' ' ' ALA . 34.1 t70 -75.39 -45.44 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.96 -59.15 5.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.75 -27.86 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 623' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' C' ' 620' ' ' ASP . . . -56.69 -16.75 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.656 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.78 -76.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.44 0.1 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 80.8 tt0 34.09 95.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 627' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 100.0 m-20 -140.94 62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.639 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 628' ' ' VAL . . . . . . . . . . . . . 4.1 m -121.97 76.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -173.01 5.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.705 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -79.02 166.83 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.535 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 631' ' ' THR . . . . . 0.507 ' O ' ' C ' ' C' ' 632' ' ' LEU . 43.5 p -82.04 87.65 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 632' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' C' ' 631' ' ' THR . 42.1 tp -31.23 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.506 ' OE1' ' NH2' ' C' ' 636' ' ' ARG . 78.0 tt0 -71.69 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.71 -11.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 635' ' ' GLY . . . . . 0.543 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.78 0.18 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 636' ' ' ARG . . . . . 0.506 ' NH2' ' OE1' ' C' ' 633' ' ' GLU . 80.2 mtm180 -127.93 164.88 21.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 637' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.61 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.88 2.387 . . . . 0.0 112.144 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 639' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' C' ' 637' ' ' LYS . 1.1 tp -117.74 -16.3 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 640' ' ' HIS . . . . . 0.542 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 26.9 t-80 -75.29 -43.8 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 641' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' C' ' 607' ' ' MET . 0.9 OUTLIER -71.74 -35.93 70.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 642' ' ' ALA . . . . . 0.679 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.94 -45.0 75.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 644' ' ' ASP . . . . . 0.542 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 88.0 m-20 -60.6 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 645' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 18.9 m -160.88 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 646' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.07 4.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 647' ' ' GLN . . . . . 0.613 ' C ' ' HG ' ' C' ' 648' ' ' LEU . 0.7 OUTLIER 51.71 4.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 110.497 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 648' ' ' LEU . . . . . 0.613 ' HG ' ' C ' ' C' ' 647' ' ' GLN . 1.2 mt 71.65 6.94 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 649' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' C' ' 653' ' ' PHE . 97.5 mt-10 -115.75 -12.56 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 650' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' C' ' 653' ' ' PHE . 1.3 mm -87.56 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.55 ' O ' ' CB ' ' C' ' 655' ' ' LEU . 1.4 tt -62.29 -52.98 61.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 652' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -56.19 -22.58 30.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 653' ' ' PHE . . . . . 0.974 ' O ' ' N ' ' C' ' 655' ' ' LEU . 4.5 m-85 -75.89 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 654' ' ' LEU . . . . . 0.401 ' N ' HD11 ' C' ' 654' ' ' LEU . 11.0 mp -41.33 6.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.637 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 655' ' ' LEU . . . . . 0.974 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.2 tt -102.97 -47.81 4.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.32 -25.34 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -72.75 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 658' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' C' ' 659' ' ' ALA . . . -65.36 -109.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 659' ' ' ALA . . . . . 0.717 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.37 . . . . 0.0 110.578 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 660' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' C' ' 662' ' ' ASN . 0.9 OUTLIER -57.45 10.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 661' ' ' ILE . . . . . 0.717 ' H ' ' C ' ' C' ' 659' ' ' ALA . 13.1 pt -66.0 1.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 662' ' ' ASN . . . . . 1.063 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 25.2 t-20 -163.68 -18.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 663' ' ' ALA . . . . . 0.763 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.11 -33.67 0.28 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 664' ' ' PRO . . . . . 1.063 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 78.6 Cg_exo -46.96 120.82 4.46 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.829 2.353 . . . . 0.0 112.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -125.9 -50.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.81 -16.17 57.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 667' ' ' HIS . . . . . 0.543 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 39.1 m80 -80.46 -6.32 57.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 668' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' C' ' 668' ' ' HIS . 57.2 t-80 40.6 37.31 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.571 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 5.7 tt -176.93 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 670' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.15 168.7 10.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 671' ' ' PRO . . . . . 0.501 ' O ' ' HB2' ' C' ' 674' ' ' SER . 44.2 Cg_endo -72.51 -30.47 12.25 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.832 2.354 . . . . 0.0 112.147 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 672' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' C' ' 672' ' ' LEU . 8.2 mt -45.39 -49.06 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 673' ' ' LEU . . . . . 1.294 ' O ' HG21 ' C' ' 676' ' ' VAL . 43.5 mt -67.87 -27.75 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.585 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 674' ' ' SER . . . . . 0.501 ' HB2' ' O ' ' C' ' 671' ' ' PRO . 25.0 m -51.83 -40.92 61.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 675' ' ' ALA . . . . . . . . . . . . . . . -74.54 -29.96 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.625 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 676' ' ' VAL . . . . . 1.294 HG21 ' O ' ' C' ' 673' ' ' LEU . 22.3 m -47.19 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 677' ' ' TYR . . . . . 0.806 ' H ' ' CG2' ' C' ' 676' ' ' VAL . 39.9 t80 -77.89 39.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 678' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' C' ' 676' ' ' VAL . 29.6 tp10 -124.5 -28.72 3.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.53 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.26 -11.32 72.4 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 2.9 m80 -71.95 -53.57 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.25 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 0.2 OUTLIER -67.39 -24.31 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -48.63 6.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 684' ' ' VAL . . . . . . . . . . . . . 48.5 t -41.91 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 685' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' C' ' 687' ' ' LEU . 65.6 tttm -62.59 -73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.88 1.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 687' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.7 OUTLIER -81.87 -70.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.598 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.65 -21.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 689' ' ' SER . . . . . 0.417 ' N ' ' C ' ' C' ' 687' ' ' LEU . 38.3 t -55.73 -21.61 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -99.63 -6.27 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.505 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 691' ' ' GLY . . . . . 1.086 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.89 0.42 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 692' ' ' ALA . . . . . 0.531 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.17 18.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 693' ' ' ASP . . . . . 1.086 ' N ' ' O ' ' C' ' 691' ' ' GLY . 88.0 m-20 33.2 -128.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 694' ' ' LYS . . . . . 0.502 ' C ' ' HG1' ' C' ' 695' ' ' THR . 62.2 pttt -152.44 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.652 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 695' ' ' THR . . . . . 0.502 ' HG1' ' C ' ' C' ' 694' ' ' LYS . 5.6 m -156.54 73.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 696' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' C' ' 662' ' ' ASN . 14.6 p -93.47 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -140.17 23.53 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.82 20.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 699' ' ' PRO . . . . . 0.635 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 77.8 Cg_exo -44.85 -27.72 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.824 2.349 . . . . 0.0 112.136 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 700' ' ' ASP . . . . . 0.635 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 31.1 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 701' ' ' GLY . . . . . 0.568 ' H ' ' CG ' ' C' ' 700' ' ' ASP . . . -84.84 0.4 89.13 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.1 tt -53.86 -66.65 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.626 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 703' ' ' THR . . . . . 0.647 ' C ' ' O ' ' C' ' 702' ' ' LEU . 81.6 p 16.13 -95.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 704' ' ' ALA . . . . . 0.53 ' HB2' HD11 ' C' ' 713' ' ' ILE . . . -106.64 -18.61 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 705' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.2 tt -62.88 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -80.72 15.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 707' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 708' ' ' THR . . . . . 0.494 ' CG2' ' H ' ' C' ' 709' ' ' ASP . 1.5 m -139.83 -142.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.583 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 709' ' ' ASP . . . . . 0.494 ' H ' ' CG2' ' C' ' 708' ' ' THR . 24.0 t70 -148.82 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -72.52 151.81 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.56 -20.46 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.38 3.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 713' ' ' ILE . . . . . 0.53 HD11 ' HB2' ' C' ' 704' ' ' ALA . 0.3 OUTLIER -69.97 -37.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 714' ' ' LYS . . . . . 0.475 ' N ' HG23 ' C' ' 713' ' ' ILE . 30.2 ttmt -51.98 -30.01 23.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 716' ' ' LEU . . . . . 1.043 ' O ' ' HB3' ' C' ' 717' ' ' LEU . 1.1 tt -161.13 98.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 717' ' ' LEU . . . . . 1.043 ' HB3' ' O ' ' C' ' 716' ' ' LEU . 0.3 OUTLIER 124.15 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 718' ' ' GLN . . . . . 0.612 ' N ' ' CD1' ' C' ' 717' ' ' LEU . 11.9 pt20 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.621 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 12.7 p -54.11 94.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -45.9 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -64.91 -33.64 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -60.46 -39.34 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.55 -41.0 84.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.73 -35.89 82.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.24 -43.79 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.513 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.45 ' HE ' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.51 -39.75 92.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -47.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.448 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.574 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.93 -41.31 91.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.17 -44.9 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.431 HG22 HD11 ' A' ' 21' ' ' ILE . 96.7 mt -66.65 -46.47 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.637 ' HG1' ' HD1' ' A' ' 23' ' ' HIS . 70.5 p -76.01 8.43 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.612 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.637 ' HD1' ' HG1' ' A' ' 22' ' ' THR . 2.1 m80 -123.71 15.34 9.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.5 146.96 81.55 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.478 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -68.2 167.47 21.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.016 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.89 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.734 2.289 . . . . 0.0 112.12 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.09 21.56 35.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -149.37 37.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.536 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.94 -48.86 27.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.02 -57.38 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 43.9 mp0 -44.46 -54.51 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.79 -42.5 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -59.17 -50.88 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.09 -37.89 81.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.646 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.12 -42.05 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -67.07 -41.83 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -56.39 -54.78 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.32 -34.72 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.7 mt -73.27 -49.76 25.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.76 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.475 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 66.4 t30 46.64 49.65 13.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.475 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 71.8 m-20 -168.62 79.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.9 -37.9 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -54.18 -44.16 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.26 -30.89 54.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.68 -38.77 91.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.18 -35.58 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -40.89 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.95 48.75 0.91 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.15 -56.79 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.614 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.53 87.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -54.26 -37.04 64.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.584 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.49 -54.41 12.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.7 m-30 -46.5 -56.61 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' ALA . 90.4 mm-40 -33.55 -45.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.03 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.0 -30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.553 ' C ' ' H ' ' A' ' 61' ' ' GLN . 81.8 mtp -68.84 -66.59 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.84 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 16.1 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.2 m-30 23.92 44.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.4 m -58.88 111.39 3.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.634 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.65 115.16 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.924 2.416 . . . . 0.0 112.196 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 8.8 p -109.39 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.483 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 52.3 mttp -125.19 104.0 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.662 ' O ' ' C ' ' A' ' 68' ' ' GLU . 49.8 mt -51.63 148.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.662 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.5 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.1 m-85 -137.47 14.73 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.613 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 70' ' ' TYR . 96.9 m-20 20.19 39.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.519 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 1.071 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.4 t0 -98.75 19.45 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.701 ' C ' ' O ' ' A' ' 72' ' ' ASP . 0.9 OUTLIER -0.23 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.071 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.92 173.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.538 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 54.8 mt -113.37 152.33 30.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -104.08 105.53 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.6 p -130.19 -176.89 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -78.82 -31.29 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -63.98 -23.57 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.18 15.62 50.67 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.46 100.07 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 tp -49.67 -51.5 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.69 25.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -116.14 1.27 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.83 9.33 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.61 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.33 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.562 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.527 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 52.4 m-85 -114.56 -170.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.8 tp -118.24 157.36 27.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.689 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 62.0 t0 -139.32 88.98 12.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.45 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.681 ' O ' ' NH1' ' A' ' 121' ' ' ARG . 11.2 Cg_endo -61.01 -36.64 81.67 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.855 2.37 . . . . 0.0 112.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.628 ' CG ' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.47 -75.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.455 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -76.48 -20.35 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.689 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 42.2 mttt 62.76 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.449 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 10.6 pt -146.45 154.46 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.819 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.6 t -92.68 133.0 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.729 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 30.1 p90 -140.11 136.65 33.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 59.9 tttm -88.7 113.45 24.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.844 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 48.4 t80 -82.73 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.672 ' H ' ' HB1' ' A' ' 105' ' ' ALA . 33.1 t0 -104.54 90.12 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -36.41 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.8 tp -47.44 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' A' ' 99' ' ' ASP . 8.9 tpp180 -52.78 156.37 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -88.94 2.31 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.844 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -95.54 -164.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.449 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 2.0 m-20 73.78 54.52 0.28 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.819 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.5 Cg_endo -73.51 -177.83 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.83 2.353 . . . . 0.0 112.068 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.812 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.1 OUTLIER -160.11 124.55 2.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.14 131.03 17.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.832 2.355 . . . . 0.0 112.052 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -122.92 102.51 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.9 p-10 -75.55 88.47 2.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.567 ' OG1' ' NZ ' ' A' ' 118' ' ' LYS . 15.6 p -46.93 164.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.9 35.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.81 -59.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.07 3.35 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.567 ' NZ ' ' OG1' ' A' ' 113' ' ' THR . 37.8 ttmt -54.03 -41.85 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 118' ' ' LYS . 74.0 mt-30 -39.25 -55.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -62.52 -47.64 83.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.809 ' HE ' ' N ' ' A' ' 122' ' ' ASP . 5.6 ttp180 -53.88 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.809 ' N ' ' HE ' ' A' ' 121' ' ' ARG . 66.2 t0 -25.45 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.11 -48.56 61.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.437 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 36.4 t70 -40.46 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -48.03 -46.11 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.498 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.36 -51.44 34.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.507 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.78 -12.24 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.603 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.79 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.65 -39.2 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.579 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 21.0 t80 -54.79 -38.8 67.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 134' ' ' ASP . 97.7 t -74.74 -40.53 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.569 ' NZ ' ' HZ2' ' B' ' 556' ' ' LYS . 28.4 tptt -76.16 25.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.7 m-20 -147.51 7.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.54 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.606 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 93.5 m-70 -151.01 -21.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.57 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 5.3 m-85 -114.65 106.5 52.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.589 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.446 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.8 Cg_exo -51.61 -57.23 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.773 2.315 . . . . 0.0 112.021 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -127.52 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.65 12.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -135.06 158.12 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.765 0.317 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 86.7 m -161.4 97.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.502 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 43.1 t -75.72 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.621 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 92.8 m-85 -120.21 124.32 45.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.75 84.5 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.494 ' HG3' ' H ' ' A' ' 147' ' ' SER . 20.5 tptt -123.79 167.31 14.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.512 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.494 ' H ' ' HG3' ' A' ' 146' ' ' LYS . 54.0 p -107.51 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.2 104.13 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 42.4 t0 46.65 54.18 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.77 4.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.73 129.8 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.319 . . . . 0.0 110.684 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.563 ' H ' HG21 ' A' ' 181' ' ' ILE . 82.5 mm-40 -85.76 150.51 24.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.904 ' OG1' ' HA ' ' A' ' 180' ' ' THR . 87.3 m -155.28 146.22 22.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . 0.54 ' N ' HG23 ' A' ' 153' ' ' THR . 4.8 mp -108.53 110.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.621 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 19.8 mm -98.06 117.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.91 116.09 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.252 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 95.9 m -106.17 135.47 47.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.3 mt -122.76 137.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.213 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.6 tm-20 -131.3 151.91 51.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.029 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.183 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.603 ' HD1' HH21 ' A' ' 172' ' ' ARG . 0.5 OUTLIER -140.63 170.6 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.958 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.5 mm-40 -148.61 77.85 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.248 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -65.4 147.48 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.951 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.62 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 3.1 tp-100 -168.0 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' PRO . . . . . 0.68 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.5 Cg_endo -60.69 -52.12 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.459 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . 0.68 ' N ' ' O ' ' A' ' 165' ' ' PRO . 97.8 m-20 -121.94 -10.46 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.83 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 48.6 m-85 70.04 80.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.83 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 16.1 p-90 158.82 127.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.742 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -136.03 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.361 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.603 HH21 ' HD1' ' A' ' 161' ' ' HIS . 41.4 ttm180 -165.72 136.64 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' TRP . . . . . 0.734 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.0 t-105 -107.55 138.87 42.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.486 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.3 mtm180 -125.35 152.28 44.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -166.31 111.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.033 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.663 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 81.5 tt0 -116.42 124.72 50.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.094 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . 0.649 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.4 m95 -120.57 116.92 26.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -98.62 119.83 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.721 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.8 m-85 -117.51 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.71 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.904 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.7 m -50.08 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' ILE . . . . . 0.713 ' O ' ' OG1' ' A' ' 182' ' ' THR . 9.8 tp -164.31 151.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.661 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.918 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.78 61.45 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 1.023 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 90.3 Cg_exo -34.41 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.82 0 C-N-CA 123.481 2.787 . . . . 0.0 112.661 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . 0.918 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.6 Cg_endo -79.8 -4.32 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.851 2.367 . . . . 0.0 112.144 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' THR . . . . . 1.03 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.32 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.22 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 1.108 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.79 131.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 1.068 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.9 mt-30 -106.75 -114.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.235 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.951 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 6.5 t 145.63 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.674 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' ALA . . . . . 0.76 ' H ' HG13 ' A' ' 188' ' ' VAL . . . 165.83 111.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.365 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 2.8 p -165.78 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.507 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . 18.6 mt -85.53 157.82 20.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -150.37 147.89 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 29.5 mt -149.45 134.05 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.26 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 205' ' ' GLN . 7.3 tt0 -142.32 130.28 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.947 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 47.1 t -132.66 136.66 55.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . 0.764 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 10.7 t-80 -126.55 141.61 51.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.933 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 48.3 t80 -145.58 87.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.4 t80 -100.08 87.74 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' GLU . . . . . 0.797 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.0 tt0 -129.48 52.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.346 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' ASP . . . . . 0.797 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.7 t0 114.8 2.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.422 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.72 -129.12 1.08 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -172.8 99.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.09 129.19 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' GLN . . . . . 0.701 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 3.7 tt0 -136.84 154.15 50.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 7.8 tt -122.25 87.2 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' VAL . . . . . 0.569 ' CG2' ' NE2' ' A' ' 205' ' ' GLN . 12.2 t -90.1 122.25 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' SER . . . . . 0.442 ' HG ' ' C ' ' A' ' 207' ' ' VAL . 19.8 m -149.55 147.25 27.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -157.85 145.15 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' LYS . . . . . 0.553 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 51.1 tttp -135.49 129.03 32.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.885 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.1 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.0 tt -127.1 154.89 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -150.2 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.285 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' ASP . . . . . 0.636 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.9 t0 -118.84 166.11 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' SER . . . . . 1.068 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 70.7 m -117.84 103.41 9.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.429 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' VAL . . . . . 1.108 ' O ' ' O ' ' A' ' 186' ' ' ALA . 53.2 t -91.93 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.666 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' GLN . . . . . 1.03 ' HA ' ' O ' ' A' ' 185' ' ' THR . 0.0 OUTLIER -102.65 128.05 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' VAL . . . . . 1.023 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 75.6 t -86.03 137.56 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.554 ' H ' ' HG1' ' A' ' 224' ' ' THR . 42.7 t -131.03 -99.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' SER . . . . . 0.5 ' O ' ' OG1' ' A' ' 224' ' ' THR . 2.3 t -100.2 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.558 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -86.8 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 81.7 t -70.06 -24.7 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -73.97 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.554 ' HG1' ' H ' ' A' ' 219' ' ' SER . 24.9 m -54.63 -36.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' ALA . . . . . 0.452 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.57 -57.08 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -57.11 -30.52 64.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.391 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 231' ' ' ILE . 94.6 mt-10 -67.6 -38.77 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . 0.455 ' CE1' ' CD1' ' A' ' 179' ' ' PHE . 14.6 m-85 -67.77 -53.95 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.9 mm -52.13 -27.34 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.387 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -74.87 -36.71 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.326 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 231' ' ' ILE . . . . . 0.423 ' CD1' ' O ' ' A' ' 227' ' ' GLU . 1.3 mp -67.56 -41.17 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 232' ' ' ILE . . . . . 0.446 HG12 ' CD2' ' A' ' 177' ' ' TRP . 54.0 mt -70.02 -44.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.428 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.08 -46.97 82.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.64 -43.93 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.12 -51.96 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.416 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 236' ' ' GLU . . . . . 0.404 ' OE2' ' NE1' ' A' ' 173' ' ' TRP . 10.4 tp10 -60.18 -44.13 95.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.437 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 237' ' ' ASN . . . . . 0.449 ' O ' ' OG1' ' A' ' 241' ' ' THR . 5.1 m120 -60.03 -40.22 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.46 -44.39 74.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 240' ' ' GLN . . . . . 0.509 HE21 ' CD1' ' B' ' 546' ' ' ILE . 0.8 OUTLIER -68.23 -38.95 82.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 241' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 19.7 m -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.67 71.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 243' ' ' ILE . . . . . 0.414 HD11 HG21 ' A' ' 243' ' ' ILE . 50.4 mt -69.16 -47.55 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.69 -34.18 73.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.93 -42.89 84.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 246' ' ' ASN . . . . . 0.669 HD22 ' NZ ' ' B' ' 481' ' ' LYS . 4.2 m120 -62.16 -34.57 76.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 247' ' ' TYR . . . . . 0.54 ' OH ' ' OG1' ' B' ' 536' ' ' THR . 0.4 OUTLIER -64.94 -31.93 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -73.19 -50.84 20.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 249' ' ' THR . . . . . 0.405 ' O ' ' HB ' ' A' ' 253' ' ' THR . 16.0 m -64.84 -34.83 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 37.0 mtt -72.83 -14.54 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.9 p -112.94 -10.17 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 252' ' ' ASP . . . . . 0.888 ' O ' ' OG1' ' A' ' 253' ' ' THR . 65.4 t0 -132.09 47.77 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 253' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 29.7 m 175.7 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 254' ' ' THR . . . . . 0.435 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 15.1 m -53.57 -61.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -47.69 -57.58 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.14 -11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 253' ' ' THR . . . -87.24 -18.24 30.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -78.02 -91.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 259' ' ' ARG . . . . . 0.486 HH12 ' HB3' ' B' ' 521' ' ' GLU . 15.0 ptm180 -98.67 174.46 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 260' ' ' ARG . . . . . 0.53 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 11.8 mmm180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -83.73 -11.24 57.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.444 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 1.2 pp -163.63 133.26 3.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 263' ' ' PRO . . . . . 0.724 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.3 Cg_exo -43.93 135.45 7.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.88 2.387 . . . . 0.0 112.022 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 264' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 263' ' ' PRO . 5.0 m -37.84 -38.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 265' ' ' THR . . . . . 0.401 ' N ' ' CG2' ' A' ' 264' ' ' VAL . 4.2 m -64.2 -5.41 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 266' ' ' ARG . . . . . 0.68 ' N ' ' O ' ' A' ' 263' ' ' PRO . 68.3 ttt180 54.11 55.59 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.2 t 173.29 114.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.9 mttt -16.86 131.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 269' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 9.8 tt -50.26 158.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . 0.802 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.5 OUTLIER -117.13 58.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 271' ' ' TRP . . . . . 0.592 ' C ' ' O ' ' A' ' 270' ' ' ASP . 80.3 m95 -21.42 -55.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' B' ' 506' ' ' SER . 12.3 m120 -44.52 -25.63 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . 1.221 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 97.9 mttt -99.94 -7.72 24.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.65 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 274' ' ' ILE . . . . . 0.586 ' O ' ' CG2' ' A' ' 274' ' ' ILE . 2.0 mp -103.17 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . 0.724 ' O ' ' CB ' ' A' ' 276' ' ' SER . 74.2 mt -111.1 44.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 276' ' ' SER . . . . . 1.32 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.2 p 141.92 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 1.221 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.2 t80 -30.97 43.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 278' ' ' LYS . . . . . 1.32 ' N ' ' O ' ' A' ' 276' ' ' SER . 35.7 ttmt -107.72 80.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 1.079 ' O ' ' O ' ' A' ' 280' ' ' GLY . 15.9 mm 54.22 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 280' ' ' GLY . . . . . 1.079 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 24.4 pttm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.515 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 302' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 13.2 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -42.81 -51.24 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' B' ' 304' ' ' GLN . 27.3 mp0 -55.34 -34.11 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 305' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 302' ' ' SER . 25.0 mt-30 -60.74 -49.1 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.406 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.26 -40.62 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.93 -40.84 95.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 95.9 m -68.09 -37.19 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.389 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.12 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' B' ' 315' ' ' ARG . 43.7 t0 -68.27 -33.65 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.79 -43.7 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.421 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.3 mmm -64.39 -25.67 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.3 -12.32 58.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 315' ' ' ARG . . . . . 0.582 HH11 ' HG2' ' B' ' 315' ' ' ARG . 12.0 mmt-85 -100.07 -46.93 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.57 147.7 95.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.6 128.45 21.0 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.783 2.322 . . . . 0.0 112.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.52 -3.98 14.1 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.89 2.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -80.64 -17.84 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -123.89 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.4 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.71 -60.84 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.524 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -54.59 -54.42 41.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -54.67 -55.75 26.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 38.3 tp -47.16 -48.95 23.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.43 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.05 -49.72 74.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.444 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.33 -40.75 97.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.459 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 52.6 tp -55.52 -41.09 72.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.451 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -41.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.388 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -38.02 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.22 -29.05 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.58 84.61 9.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.432 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.09 -5.56 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.701 2.267 . . . . 0.0 112.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.37 -6.41 56.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 78.8 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.9 p -64.04 -55.92 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.581 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 10.7 tm-20 -60.28 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' ASP . . . . . 0.416 ' O ' ' OG ' ' B' ' 342' ' ' SER . 98.8 m-20 -58.73 -36.13 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.532 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . 0.43 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 66.5 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 33.7 mt -81.51 12.42 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 63.3 p -144.13 -3.65 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 338' ' ' ASP . 5.6 m -119.36 -15.49 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.88 120.07 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.456 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -87.83 128.63 35.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.419 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 3.5 pt20 -129.35 165.89 29.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 81.0 Cg_exo -44.41 125.32 5.87 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.829 2.353 . . . . 0.0 112.08 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.8 122.54 17.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -88.62 148.79 23.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.389 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.2 tt -102.96 136.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' ALA . . . . . 0.732 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.62 157.64 33.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.485 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -114.31 143.32 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 56.3 t0 -111.93 81.36 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.1 mttp -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.609 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 94.5 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.5 t -92.98 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.7 70.54 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 45.0 mmtm -115.11 154.91 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 358' ' ' ASP . . . . . 0.732 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 35.8 p30 -94.77 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.623 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 31.3 p90 -139.68 135.75 33.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.2 156.63 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.1 mt -108.55 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 362' ' ' CYS . . . . . 0.781 ' H ' HD22 ' B' ' 365' ' ' ASN . 26.6 p -168.2 168.59 11.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 363' ' ' ASP . . . . . 0.644 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.4 -10.35 59.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.38 -18.17 28.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 365' ' ' ASN . . . . . 0.781 HD22 ' H ' ' B' ' 362' ' ' CYS . 0.1 OUTLIER -123.22 24.73 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -119.99 129.83 54.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.15 99.47 6.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -126.27 8.69 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 370' ' ' SER . . . . . 0.943 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 82.5 p -122.33 161.32 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 371' ' ' TYR . . . . . 1.107 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 1.6 m-85 -118.3 150.78 38.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -98.77 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 373' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 98.6 p -79.57 133.8 58.87 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 374' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 3.3 Cg_exo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.848 2.365 . . . . 0.0 112.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -85.94 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 31.3 t -83.15 -18.63 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 377' ' ' ASN . . . . . 0.569 ' HA ' ' O ' ' B' ' 373' ' ' SER . 55.5 t30 70.28 40.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -141.53 137.92 32.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 379' ' ' TYR . . . . . 1.107 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.1 OUTLIER -65.77 140.41 58.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 380' ' ' ASP . . . . . 0.757 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.95 -60.41 6.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 381' ' ' PRO . . . . . 0.943 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.48 120.04 7.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 123.022 2.482 . . . . 0.0 112.299 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -41.56 79.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.949 2.433 . . . . 0.0 112.308 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . 0.755 ' HB3' ' CE1' ' B' ' 379' ' ' TYR . 1.1 tp -84.56 177.59 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.97 65.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 386' ' ' GLY . . . . . 0.766 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.21 151.75 47.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -64.01 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.796 0.331 . . . . 0.0 110.555 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -132.26 148.58 70.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.98 150.75 49.31 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.782 2.321 . . . . 0.0 112.15 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.71 142.93 17.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.6 -43.79 5.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -67.9 -37.77 82.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.93 -42.47 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -55.32 -36.8 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.47 -46.65 85.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.337 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.38 -31.99 73.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.328 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -67.77 -38.07 82.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.372 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.06 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.397 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.74 -36.96 79.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.358 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.84 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 58.4 m-80 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 402' ' ' ASN . . . . . 0.456 ' O ' ' NE2' ' B' ' 406' ' ' GLN . 27.8 t-20 -72.13 -40.4 68.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.36 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.99 78.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.387 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.27 -29.25 67.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 405' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 32.8 m-20 -54.64 -38.81 67.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 406' ' ' GLN . . . . . 0.488 ' N ' ' OE1' ' B' ' 406' ' ' GLN . 1.0 OUTLIER -77.04 -32.92 57.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -69.76 -18.61 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 408' ' ' ARG . . . . . 0.574 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.1 ttp180 -83.81 -35.54 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 409' ' ' ASP . . . . . 0.55 ' OD2' ' NZ ' ' C' ' 604' ' ' LYS . 16.8 t70 -85.18 -8.9 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 410' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 4.8 mp -95.83 -17.88 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.571 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 411' ' ' TYR . . . . . 0.724 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.01 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 73.1 m-85 -100.65 -25.92 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 413' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.9 mt-10 63.5 24.39 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.51 25.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 415' ' ' GLY . . . . . 0.574 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.37 -163.48 52.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 416' ' ' VAL . . . . . 0.456 ' HA ' HH11 ' B' ' 408' ' ' ARG . 20.9 t -128.64 153.72 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 37.7 t -143.58 148.52 36.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.2 t -148.17 143.95 27.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.87 130.25 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.531 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 53.8 t80 -128.48 132.47 48.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.313 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.68 158.35 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.749 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 422' ' ' TRP . . . . . 0.568 ' CD1' ' N ' ' B' ' 422' ' ' TRP . 2.9 p-90 -154.45 110.6 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -43.06 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 424' ' ' LEU . . . . . 0.491 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 2.6 tp -127.86 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 425' ' ' ASP . . . . . 0.491 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 64.4 t0 -87.32 -49.85 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -129.79 30.77 4.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.62 2.56 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.72 154.07 4.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.741 0.305 . . . . 0.0 110.577 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 429' ' ' ALA . . . . . 0.488 ' CB ' ' CE2' ' B' ' 422' ' ' TRP . . . -123.97 172.83 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 430' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.64 34.99 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 431' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.04 126.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.32 113.69 40.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' B' ' 450' ' ' SER . 46.5 mt -102.83 143.14 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 434' ' ' ILE . . . . . 0.581 ' HB ' ' HB3' ' B' ' 450' ' ' SER . 30.4 mt -148.73 119.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -122.51 127.55 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 436' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.18 119.58 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.88 138.2 40.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.13 179.48 45.29 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -50.68 128.03 19.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 110.557 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.6 9.76 75.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 441' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' C' ' 677' ' ' TYR . 3.7 p -110.43 -4.24 15.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.576 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -89.25 153.89 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 443' ' ' LYS . . . . . 0.543 ' H ' ' CD ' ' B' ' 443' ' ' LYS . 7.1 mptt -56.89 -43.84 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 65.1 mt -95.07 135.92 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.752 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.75 154.75 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.7 152.45 24.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.1 m -149.51 130.7 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 448' ' ' TRP . . . . . 0.543 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.6 t-105 -114.83 116.26 28.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -109.54 127.18 54.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 450' ' ' SER . . . . . 0.581 ' HB3' ' HB ' ' B' ' 434' ' ' ILE . 0.6 OUTLIER -115.93 122.74 46.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 451' ' ' ILE . . . . . 0.468 ' O ' HG21 ' B' ' 472' ' ' THR . 51.3 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.206 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 452' ' ' HIS . . . . . 0.534 ' NE2' ' OE2' ' B' ' 521' ' ' GLU . 1.4 m170 -108.63 132.41 53.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.862 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.69 95.59 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.281 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.7 p -96.65 153.6 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -131.83 102.23 5.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.312 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 61.4 t -79.08 139.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -123.51 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.476 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -40.3 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.664 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 459' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' B' ' 464' ' ' THR . 52.6 mttp -109.33 141.97 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 460' ' ' SER . . . . . 0.475 ' HG ' ' N ' ' B' ' 461' ' ' SER . 78.0 p -48.99 -54.14 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 461' ' ' SER . . . . . 0.475 ' N ' ' HG ' ' B' ' 460' ' ' SER . 54.3 p -126.75 146.54 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.578 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 462' ' ' GLY . . . . . 0.555 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.08 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 59.15 -0.17 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.542 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 464' ' ' THR . . . . . 0.605 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 0.2 OUTLIER -82.29 123.68 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.419 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.75 151.86 33.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.9 126.58 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -103.17 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -135.84 86.1 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.186 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 469' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' B' ' 470' ' ' THR . 0.5 OUTLIER -82.09 157.54 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.505 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 470' ' ' THR . . . . . 0.431 ' H ' ' HG ' ' B' ' 469' ' ' LEU . 19.1 m -157.86 62.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.06 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 471' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.3 p -64.61 174.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.152 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 472' ' ' THR . . . . . 0.468 HG21 ' O ' ' B' ' 451' ' ' ILE . 0.2 OUTLIER -168.76 87.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.151 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 473' ' ' VAL . . . . . 0.459 HG13 ' CH2' ' B' ' 448' ' ' TRP . 88.3 t -69.74 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 474' ' ' MET . . . . . 0.448 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 3.0 ttt -124.74 96.02 4.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.13 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.69 131.12 34.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 476' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' B' ' 476' ' ' TRP . 3.6 t-105 -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.254 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.3 mt -137.3 124.67 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 478' ' ' GLN . . . . . 0.516 ' NE2' ' OD1' ' B' ' 488' ' ' ASN . 49.7 tt0 -138.2 158.17 44.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.471 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 10.5 t -163.46 127.43 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.643 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 480' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.21 73.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 9.1 mtmp? -107.58 146.67 31.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 482' ' ' THR . . . . . 0.553 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.5 m -57.29 -45.95 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.69 -25.22 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' N ' ' B' ' 486' ' ' THR . 7.5 t -125.97 14.91 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.547 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 486' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.1 m -126.1 113.96 17.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.47 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 6.0 ttp -125.12 118.04 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 488' ' ' ASN . . . . . 0.516 ' OD1' ' NE2' ' B' ' 478' ' ' GLN . 60.6 m-80 -118.95 123.98 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 489' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.8 tp -131.67 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.44 -163.82 21.76 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 491' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.88 -142.61 11.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 492' ' ' SER . . . . . 0.646 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 76.4 p 163.2 135.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.52 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 494' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 58.1 m -127.1 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.504 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -150.02 128.72 12.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.82 160.56 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 26.6 ttt -160.06 130.48 5.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.617 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -133.54 141.59 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -172.21 145.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 500' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 45.2 p-10 -91.26 125.21 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -120.71 160.16 23.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.6 m -94.27 131.84 39.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.64 122.45 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -142.97 -177.27 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.94 -35.8 77.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 506' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 272' ' ' ASN . 78.1 p -83.69 -19.79 34.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 17.8 t -135.5 73.42 62.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.56 -172.57 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.807 2.338 . . . . 0.0 112.145 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -58.81 -62.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 510' ' ' ILE . . . . . 0.406 HD13 HG21 ' B' ' 510' ' ' ILE . 71.4 mt -42.75 -48.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.18 72.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -48.18 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.01 -33.65 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.55 74.27 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -57.36 -44.33 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.75 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.14 -52.53 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.623 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 517' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' B' ' 521' ' ' GLU . 60.8 t -55.47 -47.24 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -57.89 -51.72 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -63.47 -37.54 87.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 2.3 tpt -64.39 -49.43 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 521' ' ' GLU . . . . . 0.534 ' OE2' ' NE2' ' B' ' 452' ' ' HIS . 1.7 mp0 -62.58 -45.27 93.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.713 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.92 -41.44 78.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.75 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.45 -24.37 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 525' ' ' ARG . . . . . 0.517 ' HG2' HH11 ' B' ' 525' ' ' ARG . 33.6 ttt-85 -68.72 -27.67 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -84.97 -38.74 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 73.1 p -66.06 -35.82 81.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 528' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 63.1 mt -64.94 -42.31 94.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.71 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.57 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 530' ' ' GLU . . . . . 0.967 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.8 mt-10 -74.4 -54.4 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.644 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.43 -61.47 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 532' ' ' TYR . . . . . 0.694 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.9 m-85 -50.29 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 533' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.8 40.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.559 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . 0.967 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 535' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' B' ' 536' ' ' THR . 0.8 OUTLIER -56.89 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 110.503 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.658 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 43.7 p -34.77 -57.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -50.44 -53.23 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -53.2 -44.93 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 33.7 mm -61.73 -36.04 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.44 -42.01 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -69.76 -17.13 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.34 48.01 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . 0.446 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.6 mt -68.13 -51.4 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.475 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 544' ' ' ARG . . . . . 0.84 ' HG2' ' H ' ' B' ' 545' ' ' SER . 2.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.652 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 545' ' ' SER . . . . . 0.84 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 38.5 t -142.18 137.86 31.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 546' ' ' ILE . . . . . 0.509 ' CD1' HE21 ' A' ' 240' ' ' GLN . 97.4 mt -69.1 -43.48 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -82.91 138.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 548' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.46 122.13 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.52 112.73 31.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.3 Cg_exo -46.61 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.852 2.368 . . . . 0.0 112.071 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.6 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 552' ' ' ASN . . . . . 0.44 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 10.2 p30 -129.91 116.19 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -85.27 -24.8 27.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.697 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.57 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -45.15 -56.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 556' ' ' LYS . . . . . 0.569 ' HZ2' ' NZ ' ' A' ' 133' ' ' LYS . 56.9 mtpt -57.55 -46.9 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.757 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.87 -29.64 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 60.0 tp -77.78 -30.37 51.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -73.5 -36.39 65.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' B' ' 560' ' ' ARG . 57.9 ttt-85 -58.21 -40.55 81.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 561' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' B' ' 564' ' ' GLN . 73.0 mm-40 -67.79 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.727 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . 0.887 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 58.9 tp -49.1 -40.69 33.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 68.0 m -61.18 -76.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 12.5 pt20 -36.68 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.887 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 18.1 t -72.12 -42.68 67.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.2 tp -81.46 -35.59 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 24.7 m -70.26 -19.62 63.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -117.53 6.65 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.98 -141.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.483 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 570' ' ' GLN . . . . . 0.865 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 5.3 tt0 139.82 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 571' ' ' ILE . . . . . 0.865 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 55.6 mt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 601' ' ' MET . . . . . 0.4 ' C ' ' H ' ' C' ' 603' ' ' ASP . 79.0 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.3 m 62.12 5.94 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 603' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' C' ' 601' ' ' MET . 97.4 m-20 -49.86 -37.76 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 604' ' ' LYS . . . . . 0.55 ' NZ ' ' OD2' ' B' ' 409' ' ' ASP . 79.0 tttt -69.71 -52.23 27.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -55.07 -28.91 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -75.68 -53.61 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 607' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' C' ' 607' ' ' MET . 6.8 tmm? -72.82 -36.82 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 608' ' ' TRP . . . . . 0.478 ' N ' ' O ' ' C' ' 604' ' ' LYS . 76.2 t-105 -56.75 -16.04 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.606 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 609' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.39 -50.67 13.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.639 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.28 1.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 611' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.3 tttm -102.07 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -70.36 -4.27 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 613' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.04 21.85 58.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 614' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.8 m-20 -63.83 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 615' ' ' LEU . . . . . 0.693 ' O ' HD21 ' C' ' 615' ' ' LEU . 2.8 tm? -44.99 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 616' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' C' ' 614' ' ' ASP . 62.5 m-20 -77.75 -27.51 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 617' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.52 -49.85 10.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 10.7 p -62.81 -28.42 44.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -66.22 -21.88 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 620' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 65.0 t0 -75.33 -45.39 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 14.6 t -57.73 -27.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 623' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.69 -16.75 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -64.82 -76.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 625' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.9 82.37 0.1 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 626' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.9 pt-20 34.23 95.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 627' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 96.9 m-20 -140.98 62.66 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.654 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 628' ' ' VAL . . . . . . . . . . . . . 3.3 m -121.94 76.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.536 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -173.0 5.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 630' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.09 166.85 21.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 631' ' ' THR . . . . . 0.504 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.2 OUTLIER -82.03 87.64 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 632' ' ' LEU . . . . . 0.504 ' C ' ' O ' ' C' ' 631' ' ' THR . 43.8 tp -31.32 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.527 ' OE2' ' NH1' ' A' ' 260' ' ' ARG . 11.6 tp10 -71.7 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.68 -11.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 635' ' ' GLY . . . . . 0.523 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.47 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 636' ' ' ARG . . . . . 0.62 HH21 ' CG2' ' A' ' 253' ' ' THR . 99.1 mtt180 -127.92 164.9 21.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 637' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' C' ' 639' ' ' LEU . 11.3 mmtp -108.41 156.99 37.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 638' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 57.0 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.805 2.337 . . . . 0.0 112.136 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 639' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' C' ' 637' ' ' LYS . 0.6 OUTLIER -117.68 -16.31 10.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -75.23 -43.87 49.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.64 -36.03 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.92 -44.92 75.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.47 62.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD1' ' OE2' ' C' ' 678' ' ' GLU . 4.8 t70 -60.64 -35.7 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 645' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 38.5 t -160.87 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.02 34.11 4.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 647' ' ' GLN . . . . . 0.588 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 88.0 mt-30 51.66 4.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.523 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 648' ' ' LEU . . . . . 0.846 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.57 7.02 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -115.8 -12.54 11.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 650' ' ' ILE . . . . . 0.462 HG23 HD13 ' C' ' 650' ' ' ILE . 1.0 OUTLIER -87.58 -36.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.599 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 1.128 HD22 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.33 -52.93 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 652' ' ' GLU . . . . . 1.128 ' H ' HD22 ' C' ' 651' ' ' LEU . 56.8 mm-40 -56.13 -22.61 29.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 653' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.0 OUTLIER -75.88 -97.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 654' ' ' LEU . . . . . 0.608 ' H ' ' CD2' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.38 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 655' ' ' LEU . . . . . 0.98 ' N ' ' O ' ' C' ' 653' ' ' PHE . 57.9 tp -102.93 -47.91 4.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.22 -25.37 63.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.82 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 658' ' ' GLY . . . . . . . . . . . . . . . -65.38 -109.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 659' ' ' ALA . . . . . 0.734 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.1 33.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.524 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 660' ' ' ASP . . . . . 0.456 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.8 m-20 -57.36 10.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 661' ' ' ILE . . . . . 0.734 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.8 tt -65.98 1.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 662' ' ' ASN . . . . . 1.041 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.3 m-20 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.13 -33.65 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 664' ' ' PRO . . . . . 1.041 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.7 Cg_exo -46.93 120.82 4.44 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.889 2.393 . . . . 0.0 112.14 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -125.88 -50.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -78.84 -16.13 57.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 667' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.4 m80 -80.53 -6.23 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 40.52 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 10.7 tt -176.86 147.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.23 168.7 10.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 671' ' ' PRO . . . . . 0.506 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.48 -30.52 12.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.824 2.349 . . . . 0.0 112.122 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 672' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.39 -49.01 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 673' ' ' LEU . . . . . 0.618 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 15.8 mt -67.87 -27.85 67.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 674' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 17.2 p -51.76 -40.87 61.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.517 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 675' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.07 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 676' ' ' VAL . . . . . 0.618 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 10.8 t -47.17 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 677' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' B' ' 441' ' ' SER . 0.3 OUTLIER -77.83 39.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 678' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' C' ' 644' ' ' ASP . 37.0 tp10 -124.52 -28.65 3.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.21 -11.33 72.37 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 19.3 m170 -71.94 -53.51 12.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 681' ' ' VAL . . . . . 0.665 ' O ' HG21 ' C' ' 684' ' ' VAL . 9.2 m 43.27 -4.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.628 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.42 -24.26 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -48.67 6.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 684' ' ' VAL . . . . . 0.665 HG21 ' O ' ' C' ' 681' ' ' VAL . 4.0 m -41.91 -34.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 685' ' ' LYS . . . . . 0.626 ' O ' ' CD1' ' C' ' 688' ' ' LEU . 63.8 tttm -62.56 -73.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 686' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' C' ' 686' ' ' LEU . 4.4 mm? -62.95 1.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 687' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' C' ' 685' ' ' LYS . 28.8 tp -81.9 -70.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 688' ' ' LEU . . . . . 0.817 ' CD1' ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.72 -21.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.512 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 689' ' ' SER . . . . . 0.817 ' N ' ' CD1' ' C' ' 688' ' ' LEU . 6.6 m -55.75 -21.54 19.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.604 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -99.62 -6.27 27.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 692' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.0 t0 33.11 -128.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -152.52 -23.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 28.8 m -156.57 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.593 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.41 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -140.13 23.53 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.67 142.77 20.36 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 699' ' ' PRO . . . . . 0.71 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.82 -27.75 2.59 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.815 2.343 . . . . 0.0 112.155 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 700' ' ' ASP . . . . . 0.71 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 31.2 m-20 157.74 -112.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 701' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.76 0.33 89.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 702' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.5 tt -53.89 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 703' ' ' THR . . . . . 0.637 ' C ' ' O ' ' C' ' 702' ' ' LEU . 92.5 m 16.26 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 704' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' C' ' 707' ' ' ALA . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 705' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.7 tp -62.88 -75.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.74 15.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 707' ' ' ALA . . . . . 0.465 ' HB2' ' HA ' ' C' ' 704' ' ' ALA . . . -83.44 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 708' ' ' THR . . . . . 0.489 ' CG2' ' H ' ' C' ' 709' ' ' ASP . 1.4 m -139.83 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.62 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 709' ' ' ASP . . . . . 0.489 ' H ' ' CG2' ' C' ' 708' ' ' THR . 53.2 p-10 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.562 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -72.55 151.89 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -71.62 -20.46 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.23 -60.36 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 713' ' ' ILE . . . . . 0.422 HD13 HG22 ' C' ' 713' ' ' ILE . 0.0 OUTLIER -70.0 -37.62 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 714' ' ' LYS . . . . . 0.406 ' H ' HG12 ' C' ' 713' ' ' ILE . 32.6 mmtm -52.09 -29.93 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.16 14.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 716' ' ' LEU . . . . . 0.857 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.0 98.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 717' ' ' LEU . . . . . 0.857 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 19.0 mt 124.19 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 718' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' C' ' 717' ' ' LEU . 3.4 mt-30 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 9.3 p -54.09 94.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -45.87 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.618 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.93 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.46 -39.27 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.6 -40.97 84.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -63.69 -35.84 81.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.29 -43.82 95.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.502 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -61.44 -39.78 92.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.734 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.37 -47.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.95 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.92 -41.34 91.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.16 -44.91 87.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.4 HD12 HG23 ' A' ' 21' ' ' ILE . 96.8 mt -66.68 -46.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.644 ' HG1' ' HD1' ' A' ' 23' ' ' HIS . 70.9 p -75.97 8.44 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.644 ' HD1' ' HG1' ' A' ' 22' ' ' THR . 2.2 m80 -123.74 15.34 9.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.99 81.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.5 Cg_endo -68.25 167.52 21.86 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.814 2.343 . . . . 0.0 112.08 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -70.92 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.743 2.295 . . . . 0.0 112.093 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.12 21.49 35.47 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' OE1' ' NH1' ' B' ' 315' ' ' ARG . 42.1 mt-10 -149.34 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.87 -48.91 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.0 -57.43 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.462 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 44.1 mp0 -44.47 -54.44 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.86 -42.38 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.3 -50.82 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.05 -37.93 81.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.1 -42.05 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.1 -41.81 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -56.36 -54.82 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -34.73 72.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.25 -49.75 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 tp -61.75 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 46.62 49.73 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 27.9 t-20 -168.7 79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -51.85 -37.92 53.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -54.18 -44.21 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.2 mt -77.25 -30.81 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.77 -38.75 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.19 -35.54 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -40.9 -59.82 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.89 48.67 0.92 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.18 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.47 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.33 -36.94 64.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.37 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.54 -56.58 5.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.65 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.2 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.04 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -46.96 -30.91 2.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.554 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.3 ttp -68.92 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.534 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.4 p30 -67.84 10.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.9 mm-40 -124.61 24.75 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.91 44.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.49 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.2 m -58.81 111.35 3.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.603 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -75.73 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.858 2.372 . . . . 0.0 112.178 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 12.7 p -109.41 165.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 87.1 tttt -125.14 103.95 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.67 ' O ' ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.641 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.67 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.1 tm-20 -13.21 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.584 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.52 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.09 0.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.787 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.48 14.77 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 70' ' ' TYR . 48.5 t0 20.13 39.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 1.059 ' O ' ' N ' ' A' ' 74' ' ' VAL . 30.8 t70 -98.83 19.37 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 71.6 mm-40 -0.19 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.059 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.531 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 46.9 mt -113.35 152.26 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 76' ' ' ILE . 96.3 mt -104.04 105.49 18.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 p -130.13 -176.88 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.82 -31.25 45.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -63.95 -23.62 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.63 50.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -85.45 100.04 11.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 110.599 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.2 tp -49.64 -51.51 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.72 25.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.13 -15.73 9.37 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.644 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.4 168.73 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.372 . . . . 0.0 110.537 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.525 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.5 m-85 -114.54 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.541 ' CD2' ' H ' ' A' ' 89' ' ' ASP . 0.5 OUTLIER -118.28 157.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.689 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 19.0 t0 -139.3 89.01 12.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.505 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.0 Cg_endo -60.97 -36.73 81.5 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.916 2.41 . . . . 0.0 111.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.582 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 6.1 ttp180 -59.47 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.664 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.6 t-20 -76.51 -20.38 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.689 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.1 mtmp? 62.78 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.52 ' CD1' ' OD1' ' A' ' 92' ' ' ASN . 23.6 pt -146.43 154.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.822 ' O ' ' N ' ' A' ' 109' ' ' GLN . 1.9 t -92.62 133.01 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.726 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 39.4 p90 -140.15 136.62 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 33.7 ttpt -88.66 113.39 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.847 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 48.4 t80 -82.68 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.673 ' H ' ' HB1' ' A' ' 105' ' ' ALA . 8.8 t70 -104.51 90.14 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.459 ' CB ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.38 -67.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt -47.48 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.74 156.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -88.88 2.26 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.531 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.23 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.847 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.836 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 60.4 m -95.58 -164.12 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.858 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.74 54.49 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.801 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.49 -177.75 3.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.818 2.346 . . . . 0.0 112.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.2 tt0 -160.19 124.58 2.09 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.523 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.15 131.04 17.4 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.816 2.344 . . . . 0.0 112.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 10.0 tm-20 -122.91 102.46 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -75.51 88.41 2.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.5 p -46.93 164.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.05 -30.07 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.646 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.91 35.63 1.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.686 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.3 tp -104.18 3.38 32.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.514 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.72 ' HZ1' HH21 ' A' ' 121' ' ' ARG . 10.7 mmpt? -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' LYS . 99.2 mm-40 -39.22 -55.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -62.58 -47.6 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.72 HH21 ' HZ1' ' A' ' 118' ' ' LYS . 5.3 tmm_? -53.83 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.576 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.5 m-20 -25.41 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.18 0.46 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.6 m -51.08 -48.58 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.418 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.41 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 37.0 m -47.97 -46.2 32.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.442 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.42 34.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.76 -12.32 60.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.626 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.38 -32.72 74.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.615 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.69 -39.24 24.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.55 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.4 t80 -54.78 -38.8 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 134' ' ' ASP . 87.7 t -74.73 -40.54 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.446 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.7 mttt -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.517 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.0 m-20 -147.58 7.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.685 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.9 m80 -151.07 -21.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.3 m-85 -114.67 106.48 52.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.0 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.775 2.316 . . . . 0.0 112.09 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.53 50.07 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.64 12.62 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -135.08 158.17 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.599 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.34 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 89.8 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.505 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.0 t -75.73 143.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.551 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.3 m-85 -120.21 124.27 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.568 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.61 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -123.85 167.36 14.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.7 t -107.55 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.556 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 13.0 mt -91.17 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.601 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.59 54.23 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.9 -62.81 4.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -53.75 129.8 34.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 181' ' ' ILE . 75.3 mt-30 -85.73 150.47 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.396 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.701 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.16 22.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.46 110.0 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.44 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.551 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.1 117.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.88 116.05 27.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 89.8 m -106.12 135.43 47.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.76 137.72 55.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.527 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.35 151.92 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.747 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.679 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.7 p-80 -140.64 170.6 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.5 mm-40 -148.61 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.199 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.679 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.4 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.006 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.431 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.97 66.14 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.75 -52.09 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.791 2.328 . . . . 0.0 112.109 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 97.6 m-20 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.845 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 52.7 m-85 70.09 80.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.845 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 18.8 p-90 158.81 127.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.339 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.15 29.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.586 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.5 ttp180 -165.73 136.69 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.331 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' TRP . . . . . 0.747 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.3 t-105 -107.6 138.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.51 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.6 mtm180 -125.37 152.25 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.167 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.29 111.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.675 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 80.4 tt0 -116.39 124.73 50.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.119 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . 0.665 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.7 m95 -120.63 116.91 26.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.91 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -98.63 119.78 37.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.353 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.701 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.0 m-85 -117.48 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.672 ' O ' ' O ' ' A' ' 179' ' ' PHE . 16.8 p -50.07 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' ILE . . . . . 0.705 ' O ' ' OG1' ' A' ' 182' ' ' THR . 9.7 tp -164.27 151.34 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.7 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.926 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.5 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 1.029 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 82.4 Cg_exo -34.44 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.823 0 C-N-CA 123.438 2.759 . . . . 0.0 112.669 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . 0.926 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 69.0 Cg_endo -79.87 -4.23 13.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.841 2.361 . . . . 0.0 112.15 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' THR . . . . . 1.062 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.28 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 1.101 ' HB2' ' C ' ' A' ' 216' ' ' VAL . . . 65.76 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 1.058 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 0.8 OUTLIER -106.72 -115.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.836 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 2.8 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' ALA . . . . . 0.759 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.85 111.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.39 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.439 ' CG2' ' OD1' ' A' ' 211' ' ' ASP . 3.8 p -165.79 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -150.35 147.79 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.778 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 64.9 mt -149.42 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.264 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -142.33 130.24 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 48.0 t -132.64 136.65 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . 0.783 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 21.6 t-160 -126.55 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.953 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.57 87.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.779 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.9 p90 -100.08 87.76 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' GLU . . . . . 0.805 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.2 tt0 -129.46 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.317 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' ASP . . . . . 0.805 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 89.3 m-20 114.8 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.382 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.63 -129.14 1.09 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -172.84 99.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.08 129.17 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' GLN . . . . . 0.705 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 81.5 mt-30 -136.77 154.12 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . 0.425 ' O ' ' CD2' ' A' ' 206' ' ' LEU . 7.9 tt -122.28 87.21 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.9 t -90.07 122.27 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' SER . . . . . 0.581 ' HG ' ' HH ' ' A' ' 239' ' ' TYR . 33.0 t -149.64 147.23 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 209' ' ' HIS . 14.8 p80 -157.86 145.13 18.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.165 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -135.48 129.08 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' ASP . . . . . 0.439 ' OD1' ' CG2' ' A' ' 191' ' ' VAL . 64.4 m-20 -103.6 129.87 50.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.22 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 96.7 mt -127.15 154.88 37.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 0.0 110.982 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -150.2 102.69 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.322 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' ASP . . . . . 0.642 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 99.7 m-20 -118.88 166.09 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.681 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' SER . . . . . 1.058 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 23.5 p -117.84 103.39 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' VAL . . . . . 1.101 ' C ' ' HB2' ' A' ' 186' ' ' ALA . 2.8 p -91.88 165.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.661 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' GLN . . . . . 1.062 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.4 pt20 -102.64 128.03 49.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' VAL . . . . . 1.029 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 67.5 t -85.99 137.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.619 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.921 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.5 t -130.99 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' SER . . . . . 0.489 ' O ' ' CG2' ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.28 -163.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 21.4 p-10 -86.81 -62.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.497 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 98.2 t -70.05 -24.7 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -74.0 -56.72 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.921 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.0 p -54.6 -36.9 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.517 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.14 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -57.06 -30.55 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -67.61 -38.78 84.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -67.72 -54.01 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.354 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.12 -27.36 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -74.83 -36.75 62.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.48 -41.21 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.454 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 232' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 177' ' ' TRP . 53.9 mt -70.09 -44.42 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -57.11 -46.98 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.474 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.98 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 236' ' ' GLU . . . . . 0.445 ' OE1' ' OH ' ' A' ' 131' ' ' TYR . 69.4 mt-10 -60.15 -44.16 95.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 237' ' ' ASN . . . . . 0.42 ' OD1' ' NH2' ' B' ' 544' ' ' ARG . 92.6 m-20 -59.98 -40.19 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.85 -34.32 73.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.492 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 239' ' ' TYR . . . . . 0.581 ' HH ' ' HG ' ' A' ' 208' ' ' SER . 37.3 t80 -68.5 -44.41 74.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -68.17 -38.95 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 19.0 p -61.53 -45.74 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.73 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.553 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.6 mm -69.18 -47.51 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.67 -34.23 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.83 -42.98 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 246' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' A' ' 250' ' ' MET . 24.1 t-20 -62.07 -34.68 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 247' ' ' TYR . . . . . 0.589 ' OH ' ' OG1' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.89 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . 0.579 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 12.5 tp60 -73.21 -50.94 19.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 249' ' ' THR . . . . . 0.541 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.0 m -64.7 -34.85 79.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 250' ' ' MET . . . . . 0.474 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.1 ptp -72.87 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.3 p -112.95 -10.13 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 252' ' ' ASP . . . . . 0.802 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 2.7 p30 -132.06 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 253' ' ' THR . . . . . 0.612 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 3.9 m 175.74 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 254' ' ' THR . . . . . 0.466 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 6.8 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -47.63 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -64.15 -11.85 34.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.23 -18.19 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.01 -91.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.616 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 259' ' ' ARG . . . . . 0.901 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.7 ttt180 -98.64 174.41 6.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 260' ' ' ARG . . . . . 0.901 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 18.4 mmm180 -109.19 153.2 24.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 261' ' ' GLN . . . . . 0.403 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 53.4 tt0 -83.66 -11.22 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.66 133.22 3.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 263' ' ' PRO . . . . . 0.717 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 75.8 Cg_exo -43.92 135.38 7.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.869 2.38 . . . . 0.0 112.109 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 264' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 263' ' ' PRO . 6.1 m -37.74 -39.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 33.9 p -64.15 -5.46 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 266' ' ' ARG . . . . . 0.679 ' N ' ' O ' ' A' ' 263' ' ' PRO . 4.7 ttm180 54.13 55.61 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.7 mttt -16.73 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.614 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 269' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 95.9 mt -50.3 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.538 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . 0.809 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.3 m-20 -117.09 58.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 271' ' ' TRP . . . . . 0.616 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.0 m95 -21.5 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.9 t-20 -44.54 -25.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . 1.19 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 0.8 OUTLIER -99.92 -7.73 24.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.657 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 274' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 271' ' ' TRP . 8.0 mm -103.21 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . 0.719 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.2 mt -111.18 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 276' ' ' SER . . . . . 1.31 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.94 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 1.19 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 75.3 t80 -30.92 43.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 278' ' ' LYS . . . . . 1.31 ' N ' ' O ' ' A' ' 276' ' ' SER . 31.6 mtmm -107.64 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.562 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.5 mt 54.18 3.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.1 0.0 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 51.8 tttp . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.509 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 302' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 34.6 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -42.77 -51.23 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -55.35 -34.12 63.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.472 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 305' ' ' GLN . . . . . 0.503 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.68 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.435 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 46.9 tp -57.25 -40.57 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.01 -40.79 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.6 m -68.1 -37.17 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.11 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.349 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.36 -38.35 84.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . 0.405 ' OD1' ' NE ' ' B' ' 315' ' ' ARG . 47.1 t0 -68.29 -33.65 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.82 -43.75 74.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.1 mmm -64.36 -25.63 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 315' ' ' ARG . . . . . 0.578 HH11 ' HG2' ' B' ' 315' ' ' ARG . 51.0 mtt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.64 147.75 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.65 128.42 21.08 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.825 2.35 . . . . 0.0 112.04 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.48 -4.02 14.17 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.846 2.364 . . . . 0.0 112.061 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -80.59 -17.81 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -123.91 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.33 -40.88 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.75 -60.76 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.67 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.66 -55.75 26.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.5 tp -47.18 -48.92 23.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.447 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.1 t -57.13 -49.69 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.393 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.33 -40.73 97.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.479 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 61.3 tp -55.55 -41.06 72.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.485 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -41.21 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -57.81 -37.95 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.22 -29.08 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.59 84.62 9.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.1 -5.57 15.08 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.082 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 97.4 p -89.37 -6.4 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 88.9 mt -119.03 20.87 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.632 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 12.0 t -64.11 -55.86 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.41 -50.34 73.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.77 -36.18 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . 0.47 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 72.8 mt -79.05 -28.67 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' LEU . . . . . 0.638 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 39.3 mt -81.47 12.42 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.0 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.4 p -119.41 -15.53 9.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 89.4 t -105.83 120.06 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -87.86 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.5 OUTLIER -129.32 165.91 29.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.483 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.44 125.24 5.85 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.829 2.353 . . . . 0.0 112.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.73 122.53 17.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.67 148.81 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.1 pt -102.98 136.37 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.715 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' ALA . . . . . 0.728 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.66 33.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -114.33 143.39 44.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.971 ' O ' ' N ' ' B' ' 356' ' ' GLY . 61.9 t0 -111.98 81.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 67.0 mmtt -37.28 -62.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' B' ' 353' ' ' LYS . 98.0 t -39.54 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.594 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.3 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.603 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . 0.971 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.67 70.63 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.03 154.89 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.619 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 358' ' ' ASP . . . . . 0.728 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.3 m-20 -94.77 143.03 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . 0.683 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.9 p90 -139.62 135.75 33.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.15 156.63 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.429 ' HA ' HD22 ' B' ' 365' ' ' ASN . 66.2 mt -108.6 158.56 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 362' ' ' CYS . . . . . 0.439 ' O ' ' OD1' ' B' ' 365' ' ' ASN . 24.5 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 363' ' ' ASP . . . . . 0.638 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.0 t70 -75.48 -10.32 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 364' ' ' TYR . . . . . 0.449 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 38.5 m-85 -88.38 -18.22 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 365' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' B' ' 362' ' ' CYS . 35.8 p-10 -123.21 24.76 8.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 366' ' ' ARG . . . . . 0.422 ' CD ' ' CZ ' ' B' ' 371' ' ' TYR . 31.0 ttp180 -119.92 129.85 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -122.2 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.73 1.75 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.26 8.65 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.573 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 370' ' ' SER . . . . . 1.078 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.6 p -122.36 161.36 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 371' ' ' TYR . . . . . 1.112 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 83.6 m-85 -118.3 150.83 38.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . 0.616 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.5 ttp180 -98.82 124.71 43.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 373' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.2 t -79.56 133.8 58.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.773 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 374' ' ' PRO . . . . . 0.411 ' HA ' HH21 ' B' ' 372' ' ' ARG . 61.2 Cg_endo -75.91 -14.81 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.863 2.375 . . . . 0.0 112.197 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -85.87 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.641 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.5 p -83.17 -18.58 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 377' ' ' ASN . . . . . 0.582 ' HA ' ' O ' ' B' ' 373' ' ' SER . 19.5 t30 70.18 40.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.578 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -141.57 137.88 32.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 379' ' ' TYR . . . . . 1.112 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 46.0 m-85 -65.7 140.41 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 380' ' ' ASP . . . . . 0.759 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.4 6.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.379 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 381' ' ' PRO . . . . . 1.078 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.4 Cg_exo -65.47 120.05 7.19 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.973 2.448 . . . . 0.0 112.317 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -41.55 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.968 2.446 . . . . 0.0 112.279 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.47 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . 0.589 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 97.6 mt-10 -111.64 -72.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.07 66.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.491 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 387' ' ' ALA . . . . . 0.6 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -64.0 127.25 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.27 148.58 70.3 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 389' ' ' PRO . . . . . 0.425 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.8 Cg_endo -72.94 150.75 49.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.775 2.317 . . . . 0.0 112.146 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 95.5 p -52.72 142.89 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.76 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -67.85 -37.88 82.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -55.3 -36.85 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.5 -46.56 85.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.323 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.47 -31.89 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.323 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 397' ' ' GLU . . . . . 0.616 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.6 tt0 -67.81 -38.01 82.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.403 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.14 -40.32 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -36.98 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.93 94.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 401' ' ' ASN . . . . . 0.433 ' O ' ' OD2' ' B' ' 405' ' ' ASP . 57.6 m-80 -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.374 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -72.19 -40.34 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.362 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.99 78.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.26 -29.25 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.441 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 405' ' ' ASP . . . . . 0.483 ' O ' ' NH1' ' B' ' 408' ' ' ARG . 15.3 m-20 -54.6 -38.85 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -77.11 -32.86 56.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.351 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 407' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 0.1 OUTLIER -69.76 -18.6 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 408' ' ' ARG . . . . . 0.528 ' HA ' ' HD2' ' B' ' 412' ' ' PHE . 6.4 ptt-85 -83.85 -35.51 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.533 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 409' ' ' ASP . . . . . 0.448 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 32.4 t70 -85.14 -8.98 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 410' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 32.4 mt -95.85 -17.88 20.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 411' ' ' TYR . . . . . 0.717 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.516 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.786 ' CE1' ' HG3' ' A' ' 259' ' ' ARG . 74.3 m-85 -100.61 -25.89 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 413' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 99.6 mt-10 63.47 24.38 14.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.606 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.73 -154.44 25.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 415' ' ' GLY . . . . . 0.761 ' HA3' ' HD3' ' B' ' 436' ' ' LYS . . . 76.32 -163.48 53.0 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.3 t -128.65 153.78 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.48 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 80.0 p -143.65 148.49 35.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.1 m -148.2 143.91 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.369 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.79 130.23 58.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.524 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.9 m-85 -128.46 132.39 48.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.334 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 8.8 mt -119.61 158.44 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 422' ' ' TRP . . . . . 0.671 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.9 p90 -154.52 110.58 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.51 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -43.04 159.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 424' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 55.6 mt -127.91 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 425' ' ' ASP . . . . . 0.435 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 41.8 m-20 -87.31 -49.88 6.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.76 30.7 4.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.66 2.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -170.7 154.08 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 429' ' ' ALA . . . . . 0.671 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.99 172.83 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 430' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.69 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 431' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 9.8 p -130.09 126.36 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.52 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.29 113.68 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 450' ' ' SER . 53.3 mt -102.87 143.16 32.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 434' ' ' ILE . . . . . 0.482 HG22 ' HB2' ' B' ' 450' ' ' SER . 0.3 OUTLIER -148.72 119.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 435' ' ' LYS . . . . . 0.64 ' O ' ' HD3' ' B' ' 436' ' ' LYS . 49.3 tttp -122.56 127.53 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 436' ' ' LYS . . . . . 0.786 ' HG3' ' CD1' ' B' ' 412' ' ' PHE . 8.6 mmtm -137.2 119.6 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.14 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.04 179.49 45.03 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 439' ' ' ASP . . . . . 0.501 ' OD2' ' NZ ' ' B' ' 442' ' ' LYS . 73.1 m-20 -50.71 128.06 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.504 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.63 9.74 76.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 74.1 m -110.4 -4.22 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.501 ' NZ ' ' OD2' ' B' ' 439' ' ' ASP . 55.4 mttp -89.23 153.89 20.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -56.91 -43.77 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.64 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 14.7 tt -95.11 135.96 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -105.79 154.69 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.43 130.68 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.225 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 448' ' ' TRP . . . . . 0.657 ' HE1' ' HG ' ' B' ' 450' ' ' SER . 5.3 t-105 -114.83 116.22 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 449' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.44 127.23 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.275 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 450' ' ' SER . . . . . 0.657 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 0.5 OUTLIER -115.96 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.911 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 95.5 mt -127.89 100.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.192 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 452' ' ' HIS . . . . . 0.496 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 2.6 m-70 -108.66 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.68 95.64 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.271 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.74 153.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -131.83 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.339 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.9 t -79.03 139.69 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -123.54 68.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -40.33 146.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.588 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 459' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.5 mmtp -109.39 142.02 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -49.04 -54.12 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 35.1 p -126.73 146.55 50.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 462' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.76 48.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 59.11 -0.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.697 0.284 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 464' ' ' THR . . . . . 0.571 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 15.0 t -82.29 123.64 29.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 466' ' ' HIS . . . . . 0.528 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.5 t-160 -92.89 126.56 38.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.365 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 467' ' ' TYR . . . . . 0.591 ' HH ' HD21 ' B' ' 512' ' ' ASN . 92.0 m-85 -103.21 139.45 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.933 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -135.84 86.09 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.211 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 469' ' ' LEU . . . . . 0.567 ' CD1' ' H ' ' B' ' 470' ' ' THR . 28.4 tp -82.11 157.57 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 470' ' ' THR . . . . . 0.567 ' H ' ' CD1' ' B' ' 469' ' ' LEU . 15.8 m -157.84 62.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.049 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 471' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 16.1 m -64.68 174.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 472' ' ' THR . . . . . . . . . . . . . 51.5 m -168.77 87.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.129 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 473' ' ' VAL . . . . . 0.478 HG13 ' CZ2' ' B' ' 448' ' ' TRP . 91.7 t -69.66 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 474' ' ' MET . . . . . 0.43 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 11.6 mtp -124.81 95.95 4.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.167 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 475' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 4.6 tp -86.59 131.14 34.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -125.29 130.32 51.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.226 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -137.41 124.59 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.937 0.398 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 478' ' ' GLN . . . . . 0.616 ' HG3' ' N ' ' B' ' 479' ' ' THR . 4.4 tp-100 -138.14 158.14 44.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.414 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 479' ' ' THR . . . . . 0.616 ' N ' ' HG3' ' B' ' 478' ' ' GLN . 1.7 t -163.42 127.46 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.666 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 480' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 48.0 p30 -108.22 73.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 64.0 tttp -107.62 146.65 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 61.7 p -57.26 -46.01 83.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.64 -25.28 68.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' C ' ' B' ' 485' ' ' GLY . 6.3 t -125.86 14.81 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 110.629 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 486' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.2 m -126.01 114.0 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 487' ' ' MET . . . . . 0.483 ' O ' ' OE1' ' B' ' 478' ' ' GLN . 2.6 tmm? -125.11 118.1 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 488' ' ' ASN . . . . . 0.475 ' CG ' ' NE2' ' B' ' 478' ' ' GLN . 0.5 OUTLIER -119.01 123.99 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 489' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' B' ' 489' ' ' LEU . 1.2 tt -131.68 76.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.84 21.78 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 491' ' ' GLY . . . . . 0.643 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.89 -142.68 11.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 492' ' ' SER . . . . . 0.643 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.6 p 163.26 135.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.54 149.46 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 494' ' ' THR . . . . . . . . . . . . . 54.6 m -127.14 142.91 51.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -150.0 128.74 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -92.87 160.51 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 12.3 ttp -160.06 130.46 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.671 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.55 141.64 47.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.25 145.84 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 500' ' ' ASP . . . . . 0.528 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.4 m-20 -91.28 125.23 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.484 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -120.7 160.12 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.4 m -94.2 131.83 39.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.63 122.43 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.653 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.86 -35.84 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.7 -19.82 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 6.8 t -135.52 73.48 62.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.596 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.53 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.763 2.309 . . . . 0.0 112.161 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.77 -62.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.5 mt -42.71 -49.11 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.24 71.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 512' ' ' ASN . . . . . 0.591 HD21 ' HH ' ' B' ' 467' ' ' TYR . 99.1 m-20 -62.93 -48.22 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.6 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.75 -46.56 74.11 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.33 -44.39 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.71 0.291 . . . . 0.0 110.699 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.15 -52.51 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.47 -47.21 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.82 -51.79 68.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.48 -37.56 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 37.5 tpp -64.31 -49.41 71.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.62 -45.24 93.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.721 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 522' ' ' ASN . . . . . 0.422 ' ND2' ' OH ' ' B' ' 411' ' ' TYR . 12.8 m120 -56.93 -41.46 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.62 -38.46 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.45 -24.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 525' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' B' ' 525' ' ' ARG . 50.6 ttt-85 -68.7 -27.7 66.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 37.2 t -85.01 -38.69 18.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 14.4 m -66.04 -35.79 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 528' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 47.2 mt -64.93 -42.41 94.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.58 -31.27 70.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 530' ' ' GLU . . . . . 0.975 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.5 mt-10 -74.35 -54.48 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 531' ' ' ILE . . . . . 0.421 HG21 HD13 ' B' ' 531' ' ' ILE . 48.8 mm -64.39 -61.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 532' ' ' TYR . . . . . 0.701 ' O ' ' OG1' ' B' ' 536' ' ' THR . 14.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 533' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . 0.975 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.07 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 535' ' ' LYS . . . . . 0.52 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.2 tptm -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.709 ' HG1' ' H ' ' B' ' 537' ' ' LYS . 67.1 p -34.8 -58.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 537' ' ' LYS . . . . . 0.709 ' H ' ' HG1' ' B' ' 536' ' ' THR . 66.0 tttm -50.34 -53.27 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -53.2 -44.97 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 539' ' ' ILE . . . . . 0.44 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 94.4 mt -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.48 -41.95 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 541' ' ' ASN . . . . . 0.466 HD22 ' HZ2' ' B' ' 537' ' ' LYS . 95.0 m-20 -69.77 -17.2 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.33 48.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 539' ' ' ILE . 14.6 mt -68.1 -51.4 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 110.446 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 544' ' ' ARG . . . . . 0.758 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.78 170.12 16.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 545' ' ' SER . . . . . 0.758 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 36.1 t -142.2 137.9 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.19 -43.47 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -82.94 138.6 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 548' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.09 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 83.3 mt -79.51 112.69 30.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.558 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 550' ' ' PRO . . . . . 0.574 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.2 Cg_exo -46.51 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.846 2.364 . . . . 0.0 112.091 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.574 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.0 p-10 -25.25 145.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -129.87 116.16 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.26 -24.81 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' B' ' 558' ' ' LEU . 44.2 mmtm -52.52 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.67 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -57.53 -46.9 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.751 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.88 -29.63 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 554' ' ' LYS . 6.9 mp -77.84 -30.34 51.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -73.57 -36.32 65.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.23 -40.51 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.792 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 561' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' B' ' 564' ' ' GLN . 76.4 mt-10 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . 0.878 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.9 mt -49.06 -40.76 32.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.656 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 563' ' ' SER . . . . . 0.795 ' O ' ' N ' ' B' ' 565' ' ' VAL . 60.7 m -61.15 -76.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.5 pt20 -36.67 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.878 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.6 t -72.09 -42.73 67.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.7 mt -81.42 -35.58 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.4 p -70.37 -19.51 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -117.56 6.6 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.3 ttt180 -160.98 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 570' ' ' GLN . . . . . 0.899 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.7 tt0 139.81 128.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.672 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 571' ' ' ILE . . . . . 0.899 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 54.1 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 601' ' ' MET . . . . . 0.733 ' O ' ' SG ' ' C' ' 602' ' ' CYS . 76.4 mmm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 602' ' ' CYS . . . . . 0.733 ' SG ' ' O ' ' C' ' 601' ' ' MET . 1.0 OUTLIER 62.19 5.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 603' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' C' ' 601' ' ' MET . 55.9 m-20 -49.83 -37.8 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.486 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 604' ' ' LYS . . . . . 0.638 ' HZ1' ' CE ' ' C' ' 607' ' ' MET . 0.0 OUTLIER -69.69 -52.25 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -55.11 -28.89 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 606' ' ' PHE . . . . . 0.66 ' CD2' ' SG ' ' C' ' 602' ' ' CYS . 0.9 OUTLIER -75.73 -53.59 8.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 607' ' ' MET . . . . . 0.638 ' CE ' ' HZ1' ' C' ' 604' ' ' LYS . 43.8 ttp -72.78 -36.83 67.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 608' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' C' ' 604' ' ' LYS . 71.9 t-105 -56.8 -16.0 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 609' ' ' ALA . . . . . 0.448 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.4 -50.7 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.595 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 610' ' ' LEU . . . . . 0.702 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.6 mp -66.26 2.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 611' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' C' ' 609' ' ' ALA . 17.7 tptm -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -70.38 -4.24 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 613' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.89 58.44 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 614' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' C' ' 617' ' ' GLU . 6.5 m-20 -63.84 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.568 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 615' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.3 pp -44.97 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' C ' ' C' ' 614' ' ' ASP . 65.8 t0 -77.76 -27.46 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 617' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' C' ' 614' ' ' ASP . 21.0 tp10 -81.54 -49.88 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 618' ' ' VAL . . . . . 0.666 ' O ' ' CD2' ' C' ' 621' ' ' TYR . 2.3 m -62.86 -28.36 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.556 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -66.18 -21.89 66.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 620' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 93.1 m-20 -75.37 -45.38 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 621' ' ' TYR . . . . . 0.887 ' CD1' ' N ' ' C' ' 622' ' ' VAL . 0.1 OUTLIER -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 622' ' ' VAL . . . . . 0.887 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.2 p -57.73 -27.85 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 623' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.74 -16.76 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -64.75 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.42 0.1 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.5 mt-10 34.24 95.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -141.03 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 628' ' ' VAL . . . . . 0.505 ' CG2' ' OH ' ' C' ' 621' ' ' TYR . 1.6 t -121.97 76.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -173.09 5.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 631' ' ' THR . . . . . 0.485 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.11 87.67 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 632' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' C' ' 631' ' ' THR . 48.1 tp -31.35 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.513 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 71.7 mm-40 -71.67 -76.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.71 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 635' ' ' GLY . . . . . . . . . . . . . . . -163.43 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 636' ' ' ARG . . . . . 0.585 HH21 ' CD2' ' C' ' 640' ' ' HIS . 67.3 mtp180 -127.88 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 637' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.7 mptp? -108.38 157.01 37.56 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 638' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.3 Cg_endo -73.7 25.01 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.874 2.383 . . . . 0.0 112.103 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 639' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' C' ' 637' ' ' LYS . 0.6 OUTLIER -117.74 -16.36 10.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 640' ' ' HIS . . . . . 0.585 ' CD2' HH21 ' C' ' 636' ' ' ARG . 21.9 t60 -75.22 -43.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 641' ' ' TYR . . . . . 0.499 ' HH ' ' NH1' ' C' ' 636' ' ' ARG . 66.0 m-85 -71.67 -36.0 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.464 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 642' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.99 75.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.05 -48.47 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.526 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 644' ' ' ASP . . . . . 0.498 ' OD2' ' OE2' ' C' ' 678' ' ' GLU . 2.9 t0 -60.6 -35.73 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.495 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 645' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 34.9 t -160.89 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.587 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 646' ' ' GLY . . . . . 0.681 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.01 34.13 4.46 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 647' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 35.9 tt0 51.67 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.815 0.341 . . . . 0.0 110.577 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 648' ' ' LEU . . . . . 0.855 ' N ' HD12 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.57 7.0 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -115.76 -12.64 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 650' ' ' ILE . . . . . 0.654 HD13 ' O ' ' C' ' 646' ' ' GLY . 1.2 mp -87.56 -36.13 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 0.695 HD13 ' H ' ' C' ' 652' ' ' GLU . 0.2 OUTLIER -62.33 -52.91 61.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 652' ' ' GLU . . . . . 0.695 ' H ' HD13 ' C' ' 651' ' ' LEU . 12.1 pt-20 -56.21 -22.6 30.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.489 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 653' ' ' PHE . . . . . 0.972 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.2 t80 -75.81 -97.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 654' ' ' LEU . . . . . 0.517 ' H ' ' HB3' ' C' ' 653' ' ' PHE . 0.3 OUTLIER -41.39 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 655' ' ' LEU . . . . . 0.972 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.94 -47.89 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.26 -25.43 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.532 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 658' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' C' ' 659' ' ' ALA . . . -65.35 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 659' ' ' ALA . . . . . 0.728 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.592 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 660' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' C' ' 662' ' ' ASN . 18.0 m-20 -57.39 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 661' ' ' ILE . . . . . 0.728 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.8 tp -66.01 1.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 662' ' ' ASN . . . . . 1.062 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.6 m-20 -163.66 -18.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 663' ' ' ALA . . . . . 0.777 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.62 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 0.0 110.592 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 664' ' ' PRO . . . . . 1.062 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 76.4 Cg_exo -46.98 120.79 4.45 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.866 2.377 . . . . 0.0 112.18 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -125.85 -50.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 666' ' ' LYS . . . . . 0.402 ' CD ' ' N ' ' C' ' 666' ' ' LYS . 1.6 mptm? -78.84 -16.11 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 667' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -80.49 -6.3 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.534 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 16.5 tt -176.88 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.21 168.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 671' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -72.48 -30.5 12.27 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.889 2.393 . . . . 0.0 112.12 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.39 -49.09 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 673' ' ' LEU . . . . . 0.612 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.77 66.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 674' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.1 t -51.81 -40.91 61.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 675' ' ' ALA . . . . . 0.621 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.52 -29.97 61.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 676' ' ' VAL . . . . . 0.612 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 17.9 t -47.19 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.78 39.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 678' ' ' GLU . . . . . 0.621 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 62.3 mm-40 -124.47 -28.63 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.34 72.35 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 680' ' ' HIS . . . . . 0.895 ' O ' ' N ' ' C' ' 682' ' ' SER . 64.6 m80 -71.94 -53.53 12.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.29 -5.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 682' ' ' SER . . . . . 0.895 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.3 t -67.39 -24.24 65.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.618 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 683' ' ' CYS . . . . . 0.699 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 9.6 p -90.96 -48.71 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 684' ' ' VAL . . . . . 0.699 ' N ' ' SG ' ' C' ' 683' ' ' CYS . 92.2 t -41.82 -34.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 685' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' C' ' 687' ' ' LEU . 99.0 mttt -62.49 -73.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 686' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' C' ' 686' ' ' LEU . 3.8 mm? -62.93 1.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 687' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.9 -70.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 10.8 mp -45.65 -21.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 689' ' ' SER . . . . . 0.428 ' N ' ' C ' ' C' ' 687' ' ' LEU . 13.2 m -55.72 -21.64 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -99.57 -6.31 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 691' ' ' GLY . . . . . 1.08 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.75 -74.92 0.42 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 692' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.22 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.636 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 693' ' ' ASP . . . . . 1.08 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.6 OUTLIER 33.06 -128.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -152.56 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.56 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 5.5 t -93.43 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 697' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' C' ' 664' ' ' PRO . 0.4 OUTLIER -140.13 23.51 2.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.79 20.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 699' ' ' PRO . . . . . 0.629 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 74.8 Cg_exo -44.84 -27.68 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.162 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 700' ' ' ASP . . . . . 0.629 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.7 t70 157.69 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.85 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 702' ' ' LEU . . . . . 0.652 ' O ' ' C ' ' C' ' 703' ' ' THR . 2.9 tt -53.84 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 703' ' ' THR . . . . . 0.652 ' C ' ' O ' ' C' ' 702' ' ' LEU . 11.4 p 16.22 -95.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 704' ' ' ALA . . . . . 0.431 ' HA ' ' HB1' ' C' ' 707' ' ' ALA . . . -106.59 -18.67 13.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 705' ' ' LEU . . . . . 0.571 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 0.2 OUTLIER -62.82 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.76 15.2 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 707' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 65.1 p -139.83 -142.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -148.78 -4.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -72.59 151.87 42.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -71.61 -20.43 61.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.33 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.683 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 713' ' ' ILE . . . . . 0.471 ' O ' ' CD2' ' C' ' 716' ' ' LEU . 7.8 mt -70.05 -37.67 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -52.04 -29.95 23.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.25 14.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 716' ' ' LEU . . . . . 0.865 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.3 OUTLIER -161.04 98.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.556 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 717' ' ' LEU . . . . . 0.865 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 12.9 mt 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 718' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 40.9 tt0 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' A' ' 7' ' ' ARG . 56.9 ttt-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 10.8 p -54.07 94.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -45.94 162.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.607 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -64.92 -33.61 76.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -39.35 87.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.5 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -63.72 -35.88 82.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.5 t -65.33 -43.71 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -61.56 -39.75 92.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.722 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 16' ' ' ILE . 91.2 mt -65.38 -47.4 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.496 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.69 75.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.87 -41.36 91.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.15 -44.83 87.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.667 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.69 -46.44 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.539 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 68.2 p -76.06 8.49 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.77 15.35 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.91 81.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.528 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.13 167.48 21.75 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.843 2.362 . . . . 0.0 112.061 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.92 116.26 4.6 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.725 2.283 . . . . 0.0 112.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.11 21.48 35.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.528 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 41.3 mt-10 -149.33 37.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 0.0 110.551 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -73.95 -48.89 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.03 -57.42 12.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 39.9 mp0 -44.43 -54.43 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.548 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.79 -42.57 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -59.16 -50.83 72.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.672 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -60.08 -37.93 81.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.09 -42.04 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.07 -41.86 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.38 -54.82 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.32 -34.79 72.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.595 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.8 mt -73.17 -49.79 26.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.74 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.3 t30 46.61 49.72 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.545 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 29.0 t-20 -168.68 79.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -51.95 -37.82 54.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.21 -44.17 71.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.545 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 95.8 mt -77.25 -30.88 54.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.1 tp -62.69 -38.79 91.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.13 -35.55 80.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.649 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -40.97 -59.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.16 -56.8 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.47 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.36 -36.96 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.4 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.459 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.6 -56.57 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.564 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 69.0 tp60 -33.63 -45.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 91.4 t80 -60.0 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -46.91 -30.97 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 61' ' ' GLN . 82.4 mtp -68.84 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 57' ' ' TYR . 6.8 p-10 -67.9 10.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.617 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.4 mm100 -124.52 24.73 7.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.86 44.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.8 m -58.85 111.33 3.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.69 115.22 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.87 2.38 . . . . 0.0 112.22 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 11.5 p -109.37 165.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 60.1 tttm -125.19 103.96 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.668 ' O ' ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.639 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.668 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -77.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.08 0.32 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.44 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.598 ' C ' ' O ' ' A' ' 70' ' ' TYR . 65.7 t0 20.22 39.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 1.069 ' O ' ' N ' ' A' ' 74' ' ' VAL . 54.1 t0 -98.72 19.37 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.7 ' C ' ' O ' ' A' ' 72' ' ' ASP . 16.1 mm100 -0.2 50.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.069 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p -63.86 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.541 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 57.3 mt -113.39 152.31 30.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.02 105.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.13 -176.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -78.82 -31.28 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -64.01 -23.56 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.65 50.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.46 99.92 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.627 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.3 tp -49.62 -51.48 37.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.14 -0.73 25.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -116.11 1.26 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.19 -15.74 9.34 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.639 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.68 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.538 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.52 -170.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 62.0 mt -118.35 157.35 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.69 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 21.4 t0 -139.35 89.04 12.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.0 -36.65 81.72 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' A' ' 141' ' ' CYS . 86.4 mtt180 -59.46 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.477 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.648 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.7 t-20 -76.5 -20.37 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.513 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.69 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.2 mtmp? 62.73 62.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.525 ' CD1' ' OD1' ' A' ' 92' ' ' ASN . 24.5 pt -146.47 154.45 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.822 ' O ' ' N ' ' A' ' 109' ' ' GLN . 3.9 t -92.69 133.05 36.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.707 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.3 p90 -140.14 136.63 33.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.448 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 62.0 tttm -88.68 113.42 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.583 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.84 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 48.2 t80 -82.72 133.11 35.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.666 ' H ' ' HB3' ' A' ' 105' ' ' ALA . 17.4 t0 -104.54 90.11 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.58 ' ND1' ' H ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.48 -67.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.4 mt -47.44 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 99' ' ' ASP . 85.6 mtm180 -52.76 156.3 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -88.84 2.24 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.19 150.22 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.84 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.824 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 66.6 m -95.56 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.854 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.78 54.5 0.28 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.818 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.0 Cg_endo -73.47 -177.84 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.879 2.386 . . . . 0.0 112.068 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 3.5 mt-30 -160.1 124.55 2.11 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.11 130.95 17.1 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.07 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -122.87 102.47 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -75.47 88.41 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.7 p -46.87 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.537 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -76.1 -30.07 58.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.86 35.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.73 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 34.6 tp -104.14 3.35 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 145' ' ' GLY . 4.5 mmtm -54.01 -41.88 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 76.0 mt-30 -39.19 -55.98 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.534 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -62.59 -47.55 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.0 tmm_? -53.89 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.7 m-20 -25.39 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.52 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.2 m -51.12 -48.55 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.431 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.4 t0 -40.4 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.57 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.0 m -47.93 -46.25 31.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.29 -51.42 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.81 -12.3 60.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.67 ' NH2' ' HZ3' ' A' ' 133' ' ' LYS . 27.4 ttt-85 -66.41 -32.7 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.67 -39.3 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.549 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.9 t80 -54.74 -38.81 67.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 134' ' ' ASP . 86.1 t -74.68 -40.55 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.67 ' HZ3' ' NH2' ' A' ' 129' ' ' ARG . 95.1 mttt -76.2 26.03 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.52 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 79.7 m-20 -147.57 7.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.677 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 70.2 m80 -150.99 -21.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.7 m-85 -114.72 106.44 52.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.54 -57.27 2.29 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.82 2.347 . . . . 0.0 112.027 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -127.5 50.08 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.87 163.54 12.63 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -135.03 158.21 44.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -129.57 162.32 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' A' ' 75' ' ' LEU . 89.6 m -161.44 97.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.59 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 41.9 t -75.77 143.48 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.553 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.4 m-85 -120.25 124.33 45.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.415 ' O ' ' NZ ' ' A' ' 118' ' ' LYS . . . -109.81 84.51 0.37 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -123.77 167.32 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 t -107.53 115.38 30.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.558 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 12.4 mt -91.19 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.607 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.61 54.22 9.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.87 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -53.74 129.78 34.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.665 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.607 ' H ' HG22 ' A' ' 181' ' ' ILE . 78.8 mt-30 -85.8 150.5 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.378 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.711 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.18 22.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.48 109.95 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.445 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.3 mt -98.06 117.03 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.84 116.06 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.243 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 74.0 m -106.12 135.44 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.8 mt -122.81 137.74 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.218 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.517 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.33 151.9 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.739 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.91 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.209 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.667 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.67 170.63 15.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.951 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.1 mm-40 -148.63 77.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.191 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.667 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.38 147.43 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.0 OUTLIER -167.97 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.341 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.6 Cg_endo -60.64 -52.16 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.818 2.345 . . . . 0.0 112.13 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.87 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.465 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 11.4 m120 -121.95 -10.46 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.838 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.5 m-85 70.01 80.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.838 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.6 p-90 158.72 127.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.754 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -135.97 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.87 163.12 29.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.617 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 27.9 ttp180 -165.74 136.67 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.351 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' TRP . . . . . 0.739 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.6 t-105 -107.62 138.89 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.509 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 54.7 mtm180 -125.36 152.27 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.233 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.31 111.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.099 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.674 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 79.9 tt0 -116.35 124.66 50.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . 0.667 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.3 m95 -120.59 116.95 26.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.927 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -98.63 119.85 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.373 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.711 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.5 m-85 -117.49 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.375 . . . . 0.0 110.794 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 18.0 p -50.09 -130.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' ILE . . . . . 0.702 ' O ' ' OG1' ' A' ' 182' ' ' THR . 9.9 tp -164.32 151.35 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.9 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.42 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.452 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 1.017 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.8 Cg_exo -34.34 12.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.838 0 C-N-CA 123.46 2.774 . . . . 0.0 112.679 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . 0.9 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.9 Cg_endo -79.86 -4.29 13.3 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.826 2.351 . . . . 0.0 112.136 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' THR . . . . . 1.067 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.263 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 1.116 ' HB2' ' C ' ' A' ' 216' ' ' VAL . . . 65.93 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.943 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 1.037 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.5 mt-30 -106.76 -115.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.241 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.831 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' ALA . . . . . 0.76 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.429 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.437 ' CG2' ' OD1' ' A' ' 211' ' ' ASP . 3.5 p -165.71 115.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.535 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' LEU . . . . . 0.565 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.6 157.84 20.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -150.36 147.82 28.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 68.6 mt -149.46 134.07 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.226 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.35 130.23 21.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.708 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.62 136.66 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.171 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . 0.766 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.53 141.58 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.961 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 44.7 t80 -145.58 87.13 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.77 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.7 p90 -100.06 87.76 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' GLU . . . . . 0.798 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.3 tt0 -129.43 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.292 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' ASP . . . . . 0.798 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.8 m-20 114.82 2.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.65 -129.08 1.08 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.6 t30 -172.84 99.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.1 t -127.06 129.14 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.519 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' GLN . . . . . 0.708 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.7 mt-30 -136.74 154.21 50.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 21.3 tp -122.31 87.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.7 t -90.06 122.19 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 23.3 t -149.56 147.25 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.957 0.408 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' HIS . . . . . 0.47 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 34.5 p80 -157.86 145.1 18.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.229 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -135.43 129.04 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.924 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' ASP . . . . . 0.437 ' OD1' ' CG2' ' A' ' 191' ' ' VAL . 65.7 m-20 -103.57 129.82 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.241 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 95.9 mt -127.19 154.85 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -150.15 102.64 3.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.377 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' ASP . . . . . 0.643 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.7 t0 -118.89 166.1 13.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.685 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' SER . . . . . 1.037 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 25.7 p -117.8 103.4 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' VAL . . . . . 1.116 ' C ' ' HB2' ' A' ' 186' ' ' ALA . 2.8 p -91.95 165.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' GLN . . . . . 1.067 ' HA ' ' O ' ' A' ' 185' ' ' THR . 8.0 pt20 -102.62 128.05 49.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' VAL . . . . . 1.017 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 65.1 t -86.03 137.53 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.634 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.915 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.05 -99.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' SER . . . . . 0.49 ' O ' ' CG2' ' A' ' 224' ' ' THR . 0.2 OUTLIER -100.25 -163.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.5 p-10 -86.87 -62.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.523 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 97.9 t -70.13 -24.67 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 226' ' ' LYS . 36.4 mt-30 -73.98 -56.73 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.52 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.915 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.2 p -54.68 -36.87 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.07 14.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -57.07 -30.56 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.412 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 226' ' ' LYS . 72.9 tt0 -67.59 -38.78 84.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -67.72 -53.92 23.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.398 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.23 -27.27 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.399 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -74.9 -36.67 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.359 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.52 -41.15 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.474 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 232' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 177' ' ' TRP . 55.1 mt -70.1 -44.49 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.384 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.1 -47.01 82.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -69.58 -43.95 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.96 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.425 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 236' ' ' GLU . . . . . 0.449 ' OE1' ' OH ' ' A' ' 131' ' ' TYR . 68.5 mt-10 -60.18 -44.09 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.448 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 237' ' ' ASN . . . . . 0.463 ' O ' ' OG1' ' A' ' 241' ' ' THR . 94.1 m-20 -60.06 -40.18 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.52 -44.38 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -68.18 -38.97 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 241' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 20.1 m -61.5 -45.73 92.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.521 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.7 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.2 -47.5 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.67 -34.21 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.89 -42.96 84.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 246' ' ' ASN . . . . . 0.538 ' OD1' ' NZ ' ' B' ' 481' ' ' LYS . 97.9 m-20 -62.12 -34.53 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 247' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.95 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -73.25 -50.91 19.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 249' ' ' THR . . . . . 0.819 ' HA ' ' OD1' ' A' ' 252' ' ' ASP . 7.0 m -64.74 -34.82 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 36.6 mtt -72.88 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.9 p -113.0 -10.1 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 252' ' ' ASP . . . . . 0.819 ' OD1' ' HA ' ' A' ' 249' ' ' THR . 19.7 p-10 -132.12 47.79 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 253' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.3 m 175.73 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 254' ' ' THR . . . . . 0.471 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 12.3 m -53.42 -61.32 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -47.69 -57.48 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.22 -11.77 34.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.3 -18.23 30.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.0 -91.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 259' ' ' ARG . . . . . 0.728 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.0 ttt180 -98.64 174.5 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 260' ' ' ARG . . . . . 0.728 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 10.6 tpp180 -109.2 153.23 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -83.71 -11.24 57.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.61 133.24 3.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 263' ' ' PRO . . . . . 0.712 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.6 Cg_exo -43.95 135.43 7.82 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.913 2.408 . . . . 0.0 112.072 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 264' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 263' ' ' PRO . 78.7 t -37.84 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 69.8 p -64.19 -5.44 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.624 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 266' ' ' ARG . . . . . 0.667 ' N ' ' O ' ' A' ' 263' ' ' PRO . 31.2 ttm180 54.13 55.62 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 55.7 mtpt -16.8 131.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 269' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.6 OUTLIER -50.25 158.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' A' ' 273' ' ' LYS . 88.6 m-20 -117.11 58.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 271' ' ' TRP . . . . . 0.599 ' C ' ' O ' ' A' ' 270' ' ' ASP . 82.3 m95 -21.49 -55.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 270' ' ' ASP . 21.6 t-20 -44.62 -25.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . 1.234 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -99.97 -7.7 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.626 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 274' ' ' ILE . . . . . 0.597 ' N ' ' O ' ' A' ' 271' ' ' TRP . 55.6 mt -103.15 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . 0.721 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.6 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.561 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 276' ' ' SER . . . . . 1.289 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.93 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 1.234 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.9 t80 -30.95 43.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 278' ' ' LYS . . . . . 1.289 ' N ' ' O ' ' A' ' 276' ' ' SER . 68.9 mttm -107.67 80.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 91.7 mt 54.19 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.14 0.0 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 49.5 tttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.549 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 302' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 46.1 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -42.75 -51.2 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -55.33 -34.2 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.462 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 305' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.3 mt-30 -60.69 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.485 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.27 -40.62 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.407 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.9 -40.83 95.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.397 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 97.5 m -68.05 -37.21 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.422 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.346 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.32 -38.36 84.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.415 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.33 -33.64 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.37 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.86 -43.66 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.361 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.42 -25.58 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.391 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 314' ' ' ARG . . . . . 0.41 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 82.1 mtm180 -82.28 -12.41 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 315' ' ' ARG . . . . . 0.584 HH11 ' HG2' ' B' ' 315' ' ' ARG . 50.3 mtt-85 -100.09 -46.82 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.6 147.75 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.7 128.49 21.37 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.836 2.357 . . . . 0.0 112.0 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -71.48 -4.1 14.34 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.896 2.397 . . . . 0.0 112.048 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . 0.468 ' NE2' ' CG ' ' B' ' 488' ' ' ASN . 79.1 mt-30 -80.52 -17.83 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -123.91 39.42 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.36 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.4 42.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.66 -55.8 25.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.555 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 44.7 tp -47.11 -48.98 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.404 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.08 -49.75 74.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.29 -40.78 97.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 48.4 tp -55.5 -41.04 72.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.492 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -41.12 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.81 -37.93 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.424 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.26 -29.09 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.429 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.52 84.59 9.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -68.09 -5.58 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.736 2.291 . . . . 0.0 112.072 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 90.5 p -89.34 -6.45 56.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 98.2 mt -119.05 20.86 12.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 10.9 t -64.07 -55.92 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.32 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.74 -36.17 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.51 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 60.9 mt -79.08 -28.62 43.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.0 mt -81.51 12.46 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.572 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 54.4 p -144.17 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 53.4 p -119.37 -15.51 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.85 120.0 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.502 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -87.79 128.64 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.555 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.98 28.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.44 125.25 5.84 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.799 2.333 . . . . 0.0 112.149 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.67 122.49 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.681 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.6 148.79 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.465 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 16.7 pt -102.96 136.38 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.755 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' ALA . . . . . 0.732 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -114.33 143.34 45.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.97 ' O ' ' N ' ' B' ' 356' ' ' GLY . 50.2 t0 -111.87 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.498 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 68.6 mmtt -37.31 -62.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' B' ' 353' ' ' LYS . 94.8 t -39.48 -52.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.639 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.0 t -93.0 -25.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . 0.97 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.7 70.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 352' ' ' ASP . 97.9 mttt -115.12 154.93 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 358' ' ' ASP . . . . . 0.732 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 34.1 m-20 -94.8 143.07 26.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . 0.691 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.7 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 360' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' B' ' 418' ' ' SER . 60.2 mt -69.13 156.66 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.584 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' B' ' 365' ' ' ASN . 66.9 mt -108.59 158.55 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 362' ' ' CYS . . . . . 0.439 ' O ' ' OD1' ' B' ' 365' ' ' ASN . 24.6 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 25.9 t70 -75.49 -10.32 59.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 364' ' ' TYR . . . . . 0.485 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 36.6 m-85 -88.34 -18.17 29.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 365' ' ' ASN . . . . . 0.444 HD22 ' HA ' ' B' ' 361' ' ' LEU . 37.3 p-10 -123.27 24.76 8.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 366' ' ' ARG . . . . . 0.412 ' CD ' ' CZ ' ' B' ' 371' ' ' TYR . 31.3 ttp180 -119.96 129.84 54.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.18 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 79.98 -98.71 1.73 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -126.31 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.561 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 370' ' ' SER . . . . . 0.986 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 19.8 p -122.38 161.33 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 371' ' ' TYR . . . . . 1.137 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.8 m-85 -118.25 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . 0.586 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.2 ttp180 -98.72 124.72 43.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 373' ' ' SER . . . . . 0.579 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 35.2 t -79.61 133.79 58.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.859 2.373 . . . . 0.0 112.238 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -85.89 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 69.5 p -83.15 -18.6 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 377' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' B' ' 373' ' ' SER . 9.9 t30 70.27 40.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -141.55 137.87 32.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 379' ' ' TYR . . . . . 1.137 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 44.1 m-85 -65.72 140.45 58.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.672 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 380' ' ' ASP . . . . . 0.736 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.94 -60.45 6.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.378 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 381' ' ' PRO . . . . . 0.986 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.44 120.05 7.18 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.005 2.47 . . . . 0.0 112.269 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.54 79.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.955 2.437 . . . . 0.0 112.328 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . 0.62 ' CD2' ' H ' ' B' ' 384' ' ' GLU . 0.5 OUTLIER -84.48 177.56 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.51 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . 0.62 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.618 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.98 65.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.523 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.17 151.72 47.44 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 387' ' ' ALA . . . . . 0.561 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.97 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.592 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 46.1 mtm -132.23 148.55 70.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 389' ' ' PRO . . . . . 0.431 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.6 Cg_endo -72.93 150.73 49.58 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.815 2.343 . . . . 0.0 112.144 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 90.9 p -52.68 142.9 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.537 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.91 -37.79 82.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.501 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.0 tp -70.89 -42.47 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.571 ' CZ ' ' ND2' ' B' ' 377' ' ' ASN . 44.2 ttm180 -55.32 -36.78 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -63.55 -46.56 85.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -32.0 73.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 397' ' ' GLU . . . . . 0.586 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.4 tt0 -67.82 -37.99 82.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.08 -40.3 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.72 -37.02 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.408 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 401' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.98 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.318 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.18 -40.35 68.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.374 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.34 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 405' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 22.0 m-20 -54.61 -38.83 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.453 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -77.08 -32.89 57.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 407' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 2.1 t80 -69.69 -18.68 63.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 408' ' ' ARG . . . . . 0.876 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.6 OUTLIER -83.8 -35.49 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.537 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 409' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 3.0 t0 -85.17 -8.94 58.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 410' ' ' LEU . . . . . 0.648 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.3 mt -95.86 -17.9 20.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 411' ' ' TYR . . . . . 0.712 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.02 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.2 m-85 -100.63 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.556 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 63.47 24.38 14.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 414' ' ' GLY . . . . . 0.51 ' O ' ' NE ' ' B' ' 408' ' ' ARG . . . 162.71 -154.45 25.41 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 415' ' ' GLY . . . . . 0.876 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.36 -163.5 52.97 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 7.9 t -128.6 153.76 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 18.3 p -143.65 148.48 35.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.675 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 418' ' ' SER . . . . . 0.415 ' HG ' ' H ' ' B' ' 360' ' ' LEU . 22.7 m -148.2 143.9 27.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.84 130.25 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.755 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.529 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.6 m-85 -128.44 132.38 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.61 158.43 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.74 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 422' ' ' TRP . . . . . 0.664 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.8 p90 -154.47 110.5 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.547 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -43.05 159.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.641 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 424' ' ' LEU . . . . . . . . . . . . . 55.1 mt -127.83 -147.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -87.35 -49.86 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.511 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -129.78 30.66 4.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.67 2.56 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.66 154.08 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 429' ' ' ALA . . . . . 0.664 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 430' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.67 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 431' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.9 p -130.06 126.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.39 113.69 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.4 mt -102.93 143.18 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 434' ' ' ILE . . . . . 0.461 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.7 mt -148.71 119.89 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -122.55 127.53 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 436' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.16 119.57 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.85 138.14 40.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.636 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.43 45.22 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.64 128.0 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.603 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.61 9.8 75.82 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 12.7 t -110.37 -4.27 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.474 ' CE ' ' OD2' ' C' ' 644' ' ' ASP . 93.9 mttt -89.18 153.86 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.513 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -56.9 -43.8 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.658 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 64.4 mt -95.15 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.705 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.84 154.69 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.67 152.41 24.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 4.0 t -149.46 130.6 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.21 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 448' ' ' TRP . . . . . 0.58 ' HE1' ' HG ' ' B' ' 450' ' ' SER . 5.6 t-105 -114.76 116.24 28.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 449' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.5 127.16 54.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 450' ' ' SER . . . . . 0.58 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.4 m -115.89 122.76 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.968 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.94 100.8 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 452' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.3 m-70 -108.67 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.75 95.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 10.0 p -96.68 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -131.79 102.2 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.328 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.4 t -79.1 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -40.31 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.671 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 459' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 461' ' ' SER . 65.1 tttm -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.0 -54.14 16.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.626 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 461' ' ' SER . . . . . 0.524 ' O ' ' NZ ' ' B' ' 459' ' ' LYS . 78.4 p -126.73 146.56 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 462' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.34 -12.82 47.99 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 463' ' ' ARG . . . . . 0.41 ' HE ' ' HA ' ' B' ' 463' ' ' ARG . 0.9 OUTLIER 59.16 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.668 0.27 . . . . 0.0 110.56 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 464' ' ' THR . . . . . 0.538 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.5 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.745 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 466' ' ' HIS . . . . . 0.534 ' ND1' ' OD1' ' B' ' 500' ' ' ASP . 0.8 OUTLIER -92.97 126.54 38.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.14 139.45 38.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.954 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -135.82 86.13 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.203 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 469' ' ' LEU . . . . . 0.557 ' CD1' ' H ' ' B' ' 470' ' ' THR . 27.6 tp -82.12 157.59 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 470' ' ' THR . . . . . 0.557 ' H ' ' CD1' ' B' ' 469' ' ' LEU . 15.9 m -157.86 62.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.066 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 471' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 17.9 m -64.64 174.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.127 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 472' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 471' ' ' SER . 54.2 m -168.79 87.54 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.135 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 473' ' ' VAL . . . . . 0.474 HG13 ' CZ2' ' B' ' 448' ' ' TRP . 96.0 t -69.65 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 474' ' ' MET . . . . . 0.459 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.1 mtp -124.81 95.98 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.175 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 475' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 46.6 tp -86.64 131.21 34.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 476' ' ' TRP . . . . . 0.503 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 51.6 m95 -125.31 130.21 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.241 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 44.6 mt -137.36 124.67 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.759 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.406 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 479' ' ' THR . . . . . 0.414 HG23 ' HB3' ' B' ' 487' ' ' MET . 7.5 t -163.42 127.47 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.691 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 480' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.15 73.74 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 481' ' ' LYS . . . . . 0.88 ' O ' ' N ' ' B' ' 485' ' ' GLY . 50.8 mtmt -107.56 146.69 31.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.31 -45.94 83.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.68 -25.24 68.77 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 484' ' ' SER . . . . . 0.455 ' O ' ' N ' ' B' ' 486' ' ' THR . 25.9 p -125.91 14.83 7.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 485' ' ' GLY . . . . . 0.88 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.6 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 486' ' ' THR . . . . . 0.47 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 16.0 p -126.04 113.94 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 487' ' ' MET . . . . . 0.414 ' HB3' HG23 ' B' ' 479' ' ' THR . 13.6 ttt -125.06 118.06 25.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 488' ' ' ASN . . . . . 0.468 ' CG ' ' NE2' ' B' ' 319' ' ' GLN . 33.6 t-20 -119.0 124.04 46.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 489' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 14.7 tp -131.7 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.36 -163.86 21.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 491' ' ' GLY . . . . . 0.643 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.64 11.06 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 492' ' ' SER . . . . . 0.643 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 77.8 p 163.19 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.484 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.51 149.48 30.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.623 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 494' ' ' THR . . . . . . . . . . . . . 54.7 m -127.12 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -149.96 128.77 12.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -92.88 160.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.494 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 36.6 tpp -160.06 130.39 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -133.5 141.65 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -172.25 145.81 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 500' ' ' ASP . . . . . 0.534 ' OD1' ' ND1' ' B' ' 466' ' ' HIS . 41.6 m-20 -91.25 125.2 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -120.72 160.17 23.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.5 m -94.22 131.81 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.58 122.39 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 91.0 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.97 -35.85 77.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.64 -19.85 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 28.4 t -135.49 73.5 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.616 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.59 -172.6 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.785 2.324 . . . . 0.0 112.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -58.78 -62.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.67 -49.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.16 72.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.65 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -63.02 -48.16 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.63 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.54 74.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -57.37 -44.31 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.17 -52.57 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.589 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.45 -47.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -57.96 -51.68 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.49 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.8 tpp -64.35 -49.39 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.58 -45.29 93.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -56.87 -41.43 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.64 -38.5 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.38 -24.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 525' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' B' ' 525' ' ' ARG . 55.1 ttt-85 -68.74 -27.64 66.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.8 t -84.99 -38.79 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.643 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.0 m -66.08 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.641 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 528' ' ' LEU . . . . . 0.707 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 37.1 mt -64.97 -42.36 94.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 530' ' ' GLU . . . . . 0.965 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.34 -54.48 7.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.625 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 531' ' ' ILE . . . . . 0.465 HG21 HD13 ' B' ' 531' ' ' ILE . 48.7 mm -64.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 532' ' ' TYR . . . . . 0.707 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 13.3 m-85 -50.28 -86.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 533' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.42 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.575 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . 0.965 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 535' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.8 tptt -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -58.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -50.39 -53.21 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -53.26 -44.93 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 539' ' ' ILE . . . . . 0.449 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 89.3 mt -61.7 -36.1 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.38 -42.05 92.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.32 48.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 539' ' ' ILE . 15.1 mt -68.16 -51.35 46.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.726 0.298 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 544' ' ' ARG . . . . . 0.786 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.86 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 545' ' ' SER . . . . . 0.786 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 39.9 t -142.17 137.87 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.553 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.14 -43.52 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -82.86 138.62 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 548' ' ' ALA . . . . . 0.52 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.47 122.1 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 551' ' ' ASP . 86.9 mt -79.47 112.73 31.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 550' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.0 Cg_exo -46.65 80.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.862 2.375 . . . . 0.0 112.087 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.565 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.31 145.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -129.91 116.14 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -85.23 -24.78 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 558' ' ' LEU . 65.8 tttm -52.58 -64.19 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -45.19 -56.66 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.706 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.58 -46.94 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.748 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 557' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.8 tm0? -65.77 -29.69 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 554' ' ' LYS . 40.9 tp -77.84 -30.27 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.62 -36.37 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.19 -40.52 81.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 561' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 564' ' ' GLN . 97.6 mt-10 -67.8 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . 0.884 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 85.1 mt -49.14 -40.64 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.7 m -61.23 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 15.1 pt20 -36.66 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.884 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 23.6 t -72.17 -42.67 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.587 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.3 mt -81.44 -35.64 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.4 p -70.23 -19.63 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -117.47 6.6 12.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.0 ttt180 -160.95 -141.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 570' ' ' GLN . . . . . 0.802 ' O ' ' CB ' ' B' ' 571' ' ' ILE . 39.3 tt0 139.72 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 571' ' ' ILE . . . . . 0.802 ' CB ' ' O ' ' B' ' 570' ' ' GLN . 3.0 tp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 75.1 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 4.2 m 62.13 5.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 603' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' C' ' 603' ' ' ASP . 67.6 t0 -49.87 -37.77 32.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 604' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' C' ' 608' ' ' TRP . 86.5 tttt -69.66 -52.29 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.0 -28.98 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -75.61 -53.73 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 607' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -72.7 -36.9 67.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 608' ' ' TRP . . . . . 0.46 ' N ' ' O ' ' C' ' 604' ' ' LYS . 75.5 t-105 -56.76 -15.97 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.578 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 609' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.51 -50.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 610' ' ' LEU . . . . . 0.604 ' H ' HD13 ' C' ' 610' ' ' LEU . 3.5 mp -66.36 2.06 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 611' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.9 tttm -102.13 -66.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -70.4 -4.21 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 613' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.94 58.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 614' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.3 m-20 -63.91 49.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.532 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 615' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.2 pp -45.06 -17.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 616' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' C' ' 614' ' ' ASP . 48.7 t0 -77.71 -27.56 50.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 617' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.6 tp10 -81.52 -49.78 10.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -28.43 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -66.14 -21.88 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 620' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -75.41 -45.39 39.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.625 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 621' ' ' TYR . . . . . 0.428 ' OH ' ' OD2' ' C' ' 627' ' ' ASP . 62.0 t80 -60.94 -59.17 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 10.3 m -57.71 -27.89 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 623' ' ' ALA . . . . . . . . . . . . . . . -56.69 -16.8 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -64.77 -76.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 625' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.86 82.45 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 626' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' C' ' 625' ' ' GLY . 9.5 tm-20 34.17 95.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 627' ' ' ASP . . . . . 0.428 ' OD2' ' OH ' ' C' ' 621' ' ' TYR . 64.9 t0 -140.96 62.65 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 628' ' ' VAL . . . . . . . . . . . . . 10.3 m -121.98 77.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -173.09 5.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 630' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' C' ' 631' ' ' THR . 40.4 ttm180 -79.06 166.89 21.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.474 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.07 87.59 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.633 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 47.0 tp -31.27 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.69 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.72 -76.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 634' ' ' GLY . . . . . 0.403 ' CA ' HH21 ' A' ' 266' ' ' ARG . . . -153.74 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 635' ' ' GLY . . . . . 0.531 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.78 0.18 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 636' ' ' ARG . . . . . 0.742 HH11 ' HH ' ' C' ' 641' ' ' TYR . 99.0 mtt180 -127.92 164.88 21.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 637' ' ' LYS . . . . . 0.53 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.99 37.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 638' ' ' PRO . . . . . 0.475 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.5 Cg_endo -73.67 25.04 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.846 2.364 . . . . 0.0 112.111 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 639' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' C' ' 637' ' ' LYS . 13.9 tp -117.72 -16.36 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 640' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' C' ' 674' ' ' SER . 86.3 t60 -75.23 -43.85 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.524 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 641' ' ' TYR . . . . . 0.742 ' HH ' HH11 ' C' ' 636' ' ' ARG . 67.5 m-85 -71.67 -35.92 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.557 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 642' ' ' ALA . . . . . 0.678 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.93 -44.99 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 644' ' ' ASP . . . . . 0.594 ' O ' ' OD1' ' C' ' 644' ' ' ASP . 27.4 t0 -60.67 -35.64 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.545 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 645' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.0 p -160.9 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 646' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.05 4.49 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 647' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.9 mm100 51.74 4.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 648' ' ' LEU . . . . . 0.823 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.59 7.01 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.526 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -115.74 -12.61 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 650' ' ' ILE . . . . . 0.5 ' O ' HD11 ' C' ' 654' ' ' LEU . 1.3 mm -87.47 -36.24 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 1.02 HD22 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.36 -52.88 61.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.558 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 652' ' ' GLU . . . . . 1.02 ' H ' HD22 ' C' ' 651' ' ' LEU . 72.0 mm-40 -56.22 -22.61 30.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 653' ' ' PHE . . . . . 0.974 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.2 OUTLIER -75.78 -97.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.608 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 654' ' ' LEU . . . . . 0.912 HD11 ' N ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.41 6.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.622 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 655' ' ' LEU . . . . . 0.974 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.4 tp -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.19 -25.47 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.73 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 658' ' ' GLY . . . . . . . . . . . . . . . -65.38 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 659' ' ' ALA . . . . . 0.738 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.09 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.563 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 660' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' C' ' 662' ' ' ASN . 97.7 m-20 -57.34 10.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 661' ' ' ILE . . . . . 0.738 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.6 tt -66.08 1.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 662' ' ' ASN . . . . . 1.065 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 49.6 p30 -163.63 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 663' ' ' ALA . . . . . 0.773 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.06 -33.69 0.28 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 664' ' ' PRO . . . . . 1.065 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 74.7 Cg_exo -46.93 120.87 4.48 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.834 2.356 . . . . 0.0 112.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -125.94 -50.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -78.79 -16.08 57.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 667' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.52 -6.28 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 668' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' C' ' 667' ' ' HIS . 51.0 p-80 40.62 37.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 15.7 tt -176.86 147.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.15 168.67 10.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 671' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -72.47 -30.5 12.31 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 7.6 tt -45.35 -49.11 13.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 673' ' ' LEU . . . . . 0.608 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 8.4 mp -67.83 -27.78 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 674' ' ' SER . . . . . 0.583 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.4 t -51.77 -40.89 61.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 675' ' ' ALA . . . . . 0.612 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.54 -29.97 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 676' ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 20.8 t -47.24 -66.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 677' ' ' TYR . . . . . 0.564 ' CZ ' ' OG1' ' A' ' 249' ' ' THR . 0.1 OUTLIER -77.76 39.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 678' ' ' GLU . . . . . 0.612 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 71.3 mm-40 -124.54 -28.65 3.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.29 -11.35 72.32 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 66.7 m80 -71.93 -53.57 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.593 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 681' ' ' VAL . . . . . 0.644 ' O ' HG22 ' C' ' 684' ' ' VAL . 5.3 m 43.28 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.9 m -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 683' ' ' CYS . . . . . 0.659 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.6 p -90.93 -48.65 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 684' ' ' VAL . . . . . 0.659 ' N ' ' SG ' ' C' ' 683' ' ' CYS . 3.7 m -41.93 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 685' ' ' LYS . . . . . 0.637 ' O ' ' CD1' ' C' ' 688' ' ' LEU . 64.0 tttp -62.52 -73.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.99 1.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 687' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' C' ' 685' ' ' LYS . 34.9 tp -81.85 -70.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 688' ' ' LEU . . . . . 0.825 ' CD1' ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.7 -21.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.516 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 689' ' ' SER . . . . . 0.825 ' N ' ' CD1' ' C' ' 688' ' ' LEU . 58.2 m -55.81 -21.51 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -99.64 -6.33 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 691' ' ' GLY . . . . . 1.087 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.87 0.42 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 692' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 110.579 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 693' ' ' ASP . . . . . 1.087 ' N ' ' O ' ' C' ' 691' ' ' GLY . 39.4 t0 33.12 -128.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 694' ' ' LYS . . . . . 0.45 ' H ' ' CG ' ' C' ' 693' ' ' ASP . 24.6 pttm -152.51 -23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 25.4 p -156.49 73.48 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.51 -29.6 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -140.14 23.5 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.626 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.76 20.36 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 699' ' ' PRO . . . . . 0.65 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 83.1 Cg_exo -44.82 -27.71 2.58 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.881 2.387 . . . . 0.0 112.114 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 700' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 35.0 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 701' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 702' ' ' LEU . . . . . 0.646 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.0 tp -53.8 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.587 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 703' ' ' THR . . . . . 0.646 ' C ' ' O ' ' C' ' 702' ' ' LEU . 0.0 OUTLIER 16.19 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.585 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 704' ' ' ALA . . . . . 0.507 ' N ' ' OG1' ' C' ' 703' ' ' THR . . . -106.62 -18.64 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 705' ' ' LEU . . . . . 0.563 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.8 tp -62.89 -75.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.596 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.77 15.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 707' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.76 -142.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.623 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -72.56 151.79 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -71.49 -20.51 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.4 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.99 -37.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -52.06 -29.93 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.18 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 716' ' ' LEU . . . . . 1.072 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.9 tp -161.08 98.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 717' ' ' LEU . . . . . 1.072 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.5 mp 124.14 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.597 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 718' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 7.5 tp-100 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.625 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.46 ' CD ' ' H1 ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 13.6 p -54.14 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.74 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -45.9 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 58.9 mp0 -60.51 -39.3 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -41.0 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.69 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.25 -43.78 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' NH2' ' CB ' ' A' ' 18' ' ' ALA . 8.8 tpm_? -61.53 -39.73 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.39 -47.45 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.93 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' CB ' ' NH2' ' A' ' 15' ' ' ARG . . . -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 38.2 ttmt -65.91 -41.28 91.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.51 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -65.24 -44.84 86.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 21' ' ' ILE . 96.7 mt -66.65 -46.5 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.527 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 52.1 p -75.98 8.4 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.69 15.3 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.95 81.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 15.9 Cg_endo -68.19 167.52 21.77 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.819 2.346 . . . . 0.0 112.061 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 53.5 Cg_endo -70.95 116.25 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.691 2.26 . . . . 0.0 112.125 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.14 21.47 35.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.559 ' OE2' ' ND2' ' A' ' 170' ' ' ASN . 55.7 mp0 -149.3 37.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 54.7 p90 -73.93 -48.82 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.546 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.614 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 24.2 p-10 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' OE1' ' NE ' ' B' ' 315' ' ' ARG . 97.6 mt-10 -44.5 -54.42 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.85 -42.44 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -59.2 -50.9 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -60.04 -37.87 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -64.16 -42.05 96.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -66.97 -41.91 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.35 -54.8 41.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' CD1' ' SG ' ' B' ' 308' ' ' CYS . 58.1 mt -59.35 -34.75 72.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.27 -49.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.62 49.7 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.481 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 8.1 m120 -168.63 79.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.89 -37.92 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -54.11 -44.18 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.3 -30.84 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -62.7 -38.74 91.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.586 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -66.21 -35.53 80.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -40.94 -59.86 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.85 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.12 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.52 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.517 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -54.26 -37.08 64.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.586 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.42 -54.41 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.507 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.6 -56.6 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.537 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 51.5 tt0 -33.55 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.08 -72.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.558 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -46.95 -30.89 2.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.534 ' C ' ' H ' ' A' ' 61' ' ' GLN . 83.1 mtp -68.9 -66.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -67.85 9.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 12.2 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 83.1 m-85 23.95 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 28.1 m -58.85 111.3 3.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.616 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.64 115.19 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.897 2.398 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 10.6 p -109.34 165.93 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.456 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 63.0 tttm -125.19 103.98 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.654 ' O ' ' C ' ' A' ' 68' ' ' GLU . 44.5 mt -51.54 148.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.631 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.654 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.3 tm-20 -13.24 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.514 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.11 0.32 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.796 ' O ' ' N ' ' A' ' 72' ' ' ASP . 64.3 m-85 -137.48 14.75 2.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.582 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 70' ' ' TYR . 58.1 t0 20.14 39.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 1.064 ' O ' ' N ' ' A' ' 74' ' ' VAL . 37.7 t0 -98.75 19.44 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.707 ' C ' ' O ' ' A' ' 72' ' ' ASP . 74.3 mm-40 -0.3 50.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.064 ' N ' ' O ' ' A' ' 72' ' ' ASP . 13.7 p -63.98 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.545 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 48.2 mt -113.28 152.26 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.553 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 76' ' ' ILE . 96.2 mt -104.06 105.52 18.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' GLU . 2.8 t -130.13 -176.9 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 21.1 pt-20 -78.76 -31.29 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -64.02 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.69 50.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.49 100.0 11.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -49.6 -51.54 36.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.66 25.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -116.1 1.19 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.22 -15.8 9.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.664 ' HG2' HH11 ' A' ' 86' ' ' ARG . 9.6 mtt-85 -108.41 168.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 54.2 m-85 -114.53 -170.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.0 tp -118.27 157.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.685 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 52.0 t0 -139.27 89.01 12.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.02 -36.71 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.852 2.368 . . . . 0.0 112.027 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.552 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.39 -75.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -76.48 -20.31 57.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.685 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 6.8 mtmp? 62.76 61.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.459 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 0.2 OUTLIER -146.48 154.43 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.814 ' O ' ' N ' ' A' ' 109' ' ' GLN . 3.5 t -92.62 133.04 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.728 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 32.7 p90 -140.14 136.62 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.449 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.1 tttt -88.67 113.37 24.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.855 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 51.8 t80 -82.63 133.09 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.642 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.667 ' H ' ' HB3' ' A' ' 105' ' ' ALA . 2.4 m-20 -104.52 90.14 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.641 ' N ' ' CD2' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.46 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 4.3 mm? -47.38 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -52.73 156.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.584 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 2.3 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -117.18 150.26 39.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.855 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.28 79.71 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.57 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 49.7 m -95.58 -164.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t0 73.76 54.48 0.28 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.811 ' CA ' ' O ' ' A' ' 95' ' ' SER . 57.4 Cg_endo -73.49 -177.81 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.859 2.373 . . . . 0.0 112.086 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.814 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.15 124.54 2.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -47.09 130.95 17.05 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.907 2.405 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.698 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 8.1 pt-20 -122.9 102.47 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.2 p-10 -75.44 88.4 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.1 t -46.95 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.616 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t 71.95 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.8 -59.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.08 3.35 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 119' ' ' GLN . 87.2 tttt -53.96 -41.94 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 118' ' ' LYS . 93.4 mm-40 -39.2 -55.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.51 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -62.54 -47.57 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.57 ' O ' ' C ' ' A' ' 122' ' ' ASP . 9.4 tmm_? -53.93 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 121' ' ' ARG . 42.2 t0 -25.51 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.19 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.2 m -51.15 -48.57 61.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.448 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.2 t0 -40.41 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 22.6 m -48.01 -46.23 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.47 33.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.73 -12.33 60.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.639 ' O ' ' NE ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.71 74.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.635 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.65 -39.25 24.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.557 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.1 t80 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 134' ' ' ASP . 6.4 p -74.75 -40.51 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.503 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.455 ' N ' HG13 ' A' ' 132' ' ' VAL . 51.8 tttm -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.529 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 73.5 m-20 -147.56 7.68 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.749 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 59.7 m-70 -151.04 -21.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 39.2 m-85 -114.69 106.54 51.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.64 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.796 2.331 . . . . 0.0 112.028 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -127.53 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.59 12.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -135.07 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 2.5 p -129.51 162.27 28.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.407 ' HG1' ' H ' ' A' ' 75' ' ' LEU . 98.7 m -161.37 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.5 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 46.1 t -75.78 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.534 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 57.4 m-85 -120.18 124.24 45.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.7 84.52 0.37 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 147' ' ' SER . 30.8 ttpt -123.78 167.37 14.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.855 0.359 . . . . 0.0 110.519 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.406 ' H ' ' HG2' ' A' ' 146' ' ' LYS . 14.6 p -107.58 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.405 HG22 HD11 ' A' ' 148' ' ' ILE . 35.6 mm -91.17 104.06 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 54.5 t0 46.72 54.22 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.82 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -53.77 129.79 34.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.325 . . . . 0.0 110.65 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.593 ' H ' HG22 ' A' ' 181' ' ' ILE . 79.5 mt-30 -85.73 150.48 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.396 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.721 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.5 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 9.1 mm -108.48 110.06 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.534 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 54.3 mt -98.12 117.09 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.89 116.06 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.229 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 52.9 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.76 137.71 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.521 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.32 151.93 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.978 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.725 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.89 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.251 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 1.2 p80 -140.66 170.61 15.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.965 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.7 mm-40 -148.65 77.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.218 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -65.36 147.45 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.591 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 6.3 tp-100 -167.98 66.08 0.73 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.333 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.4 Cg_endo -60.7 -52.06 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.768 2.312 . . . . 0.0 112.14 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -43.94 -8.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.455 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 2.8 t-20 -121.93 -10.46 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.821 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 43.8 m-85 70.07 80.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.821 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 21.6 p-90 158.78 127.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.734 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . 0.559 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 62.4 m-20 -135.98 162.31 33.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.17 29.05 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.7 136.64 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.706 0.288 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' TRP . . . . . 0.725 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.3 t-105 -107.6 138.91 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.894 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.55 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 95.4 mtt180 -125.32 152.24 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.212 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.27 111.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.031 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.656 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.1 tt0 -116.4 124.68 50.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . 0.636 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 69.0 m95 -120.62 116.95 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -98.59 119.83 37.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.368 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.721 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.1 m-85 -117.52 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 80.9 p -50.13 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' ILE . . . . . 0.753 ' O ' ' HB ' ' A' ' 182' ' ' THR . 9.7 tp -164.31 151.32 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.643 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 1.3 ' OG1' ' HG3' ' A' ' 184' ' ' PRO . 9.6 t 149.77 61.44 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 1.011 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 77.8 Cg_exo -34.38 12.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.413 2.742 . . . . 0.0 112.69 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . 1.3 ' HG3' ' OG1' ' A' ' 182' ' ' THR . 42.9 Cg_endo -79.79 -4.35 13.38 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.858 2.372 . . . . 0.0 112.172 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' THR . . . . . 1.021 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.1 OUTLIER 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.257 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 1.111 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.86 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.936 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 1.048 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 78.1 mt-30 -106.7 -114.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.277 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.912 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 4.6 t 145.65 173.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' ALA . . . . . 0.748 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.348 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.656 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.64 2.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 3.8 p -165.7 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . 57.3 mt -85.57 157.8 20.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' LYS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 27.0 mttt -150.33 147.82 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . 0.4 ' CD1' ' CE3' ' A' ' 173' ' ' TRP . 0.9 OUTLIER -149.43 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.262 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.501 ' NE2' ' OE1' ' A' ' 205' ' ' GLN . 57.8 tt0 -142.38 130.28 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.7 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.64 136.65 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.147 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . 0.767 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 76.7 t60 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.976 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' TYR . . . . . 0.521 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.5 t80 -145.59 87.07 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.9 t80 -100.03 87.78 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' GLU . . . . . 0.793 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 32.8 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' ASP . . . . . 0.793 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.6 t0 114.84 2.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.42 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.67 -129.15 1.08 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.1 t -127.03 129.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' GLN . . . . . 0.7 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 3.8 tt0 -136.79 154.1 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 10.6 tp -122.23 87.2 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.708 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' VAL . . . . . 0.582 ' CG2' ' NE2' ' A' ' 205' ' ' GLN . 16.4 t -90.03 122.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.412 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' SER . . . . . 0.456 ' OG ' ' OH ' ' A' ' 239' ' ' TYR . 6.1 p -149.61 147.23 27.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.409 . . . . 0.0 110.757 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' HIS . . . . . 0.504 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 30.1 p80 -157.85 145.05 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.209 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -135.42 129.08 32.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.58 129.85 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 19.6 tt -127.15 154.93 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -150.19 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' ASP . . . . . 0.647 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.3 t0 -118.87 166.04 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.672 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' SER . . . . . 1.048 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 66.1 m -117.76 103.39 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.447 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' VAL . . . . . 1.111 ' O ' ' O ' ' A' ' 186' ' ' ALA . 70.6 t -91.96 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' GLN . . . . . 1.021 ' HA ' ' O ' ' A' ' 185' ' ' THR . 83.9 mt-30 -102.63 128.0 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' VAL . . . . . 1.011 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 54.8 t -86.02 137.55 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.906 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.7 t -131.07 -99.06 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 224' ' ' THR . 3.5 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 221' ' ' ASP . 19.5 p-10 -86.8 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.494 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 14.5 p -70.05 -24.69 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.515 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -73.98 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.906 ' CG2' ' H ' ' A' ' 219' ' ' SER . 53.5 p -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' ALA . . . . . 0.451 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.55 -57.13 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.439 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.04 -30.58 64.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.6 -38.7 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.449 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -67.79 -53.96 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.0 mm -52.16 -27.34 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.384 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -74.8 -36.78 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.373 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 4.6 mm -67.49 -41.22 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.459 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 232' ' ' ILE . . . . . 0.423 HG12 ' CD2' ' A' ' 177' ' ' TRP . 49.8 mt -70.01 -44.53 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.06 -46.99 82.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -69.63 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.435 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.96 61.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 236' ' ' GLU . . . . . 0.472 ' OE1' ' OH ' ' A' ' 131' ' ' TYR . 68.6 tt0 -60.2 -44.13 95.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.487 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 237' ' ' ASN . . . . . 0.469 ' HA ' HH12 ' B' ' 544' ' ' ARG . 92.5 m-20 -60.0 -40.28 88.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.72 -34.37 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 239' ' ' TYR . . . . . 0.456 ' OH ' ' OG ' ' A' ' 208' ' ' SER . 49.6 t80 -68.45 -44.38 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -68.19 -39.02 82.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 76.2 m -61.43 -45.82 92.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 243' ' ' ILE . . . . . 0.666 HG12 ' SD ' ' B' ' 487' ' ' MET . 62.7 mt -69.25 -47.45 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 81.3 p -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.89 -42.94 84.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.563 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 246' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 250' ' ' MET . 98.6 m-20 -62.12 -34.59 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 247' ' ' TYR . . . . . 0.435 ' O ' ' HG2' ' A' ' 250' ' ' MET . 0.7 OUTLIER -64.93 -31.92 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -73.18 -50.91 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 249' ' ' THR . . . . . 0.539 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.8 p -64.78 -34.84 79.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.579 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 250' ' ' MET . . . . . 0.446 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.5 ptp -72.86 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.1 p -113.0 -10.08 13.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 252' ' ' ASP . . . . . 0.626 ' O ' ' OG1' ' A' ' 253' ' ' THR . 38.5 t70 -132.13 47.74 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 253' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.4 m 175.72 -78.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 254' ' ' THR . . . . . 0.467 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 10.9 m -53.54 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -47.69 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.33 -18.16 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 259' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ2' ' B' ' 448' ' ' TRP . 0.1 OUTLIER -98.58 174.49 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 260' ' ' ARG . . . . . 0.999 ' O ' ' CZ ' ' B' ' 411' ' ' TYR . 32.9 mmt180 -109.19 153.24 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -83.75 -11.2 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.63 133.28 3.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 263' ' ' PRO . . . . . 0.699 ' O ' ' N ' ' A' ' 266' ' ' ARG . 76.8 Cg_exo -44.0 135.44 7.96 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.895 2.397 . . . . 0.0 112.064 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 264' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 263' ' ' PRO . 6.2 m -37.8 -38.97 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 3.4 m -64.13 -5.5 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 266' ' ' ARG . . . . . 0.699 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.8 ttm180 54.2 55.58 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.5 t 173.25 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.4 mttt -16.79 131.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 269' ' ' ILE . . . . . 0.42 ' H ' HD13 ' A' ' 269' ' ' ILE . 3.7 mp -50.25 158.44 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . 0.803 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.9 m-20 -117.02 58.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 271' ' ' TRP . . . . . 0.597 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.44 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.2 t-20 -44.65 -25.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . 1.227 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 4.9 tttt -99.96 -7.73 24.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 274' ' ' ILE . . . . . 0.597 ' N ' ' O ' ' A' ' 271' ' ' TRP . 0.7 OUTLIER -103.24 -1.13 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 276' ' ' SER . 8.6 mt -111.16 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 276' ' ' SER . . . . . 1.297 ' O ' ' N ' ' A' ' 278' ' ' LYS . 8.0 m 141.9 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 1.227 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 78.4 t80 -31.02 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 278' ' ' LYS . . . . . 1.297 ' N ' ' O ' ' A' ' 276' ' ' SER . 64.8 tttp -107.72 80.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' A' ' 280' ' ' GLY . 96.1 mt 54.18 3.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 280' ' ' GLY . . . . . 1.069 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.51 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 302' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 7.4 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -42.8 -51.2 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -55.33 -34.16 63.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 305' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.6 mt-30 -60.74 -49.07 78.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.4 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.29 -40.59 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.41 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.96 -40.79 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.356 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 308' ' ' CYS . . . . . 0.418 ' SG ' ' CD1' ' A' ' 38' ' ' LEU . 79.6 m -68.13 -37.17 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.25 -42.09 96.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.36 -38.36 84.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.36 -33.65 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.78 -43.74 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.6 mmm -64.36 -25.64 68.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.381 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.28 -12.37 58.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 315' ' ' ARG . . . . . 0.552 HH11 ' HG2' ' B' ' 315' ' ' ARG . 27.4 mmt-85 -100.09 -46.89 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.519 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.56 147.72 95.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.6 128.41 20.91 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 122.838 2.359 . . . . 0.0 112.026 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 318' ' ' PRO . . . . . 0.403 ' HA ' HG12 ' B' ' 321' ' ' ILE . 38.4 Cg_endo -71.48 -4.07 14.27 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.88 2.387 . . . . 0.0 112.056 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -80.53 -17.79 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -123.96 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.497 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 321' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' B' ' 318' ' ' PRO . 4.8 mm -63.41 -40.92 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.541 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.72 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -54.61 -54.4 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.504 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -54.72 -55.78 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 42.9 tp -47.12 -48.95 22.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.6 t -57.02 -49.78 74.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.417 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 63.7 tp -55.56 -40.98 72.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' ILE . . . . . 0.418 HG23 HD13 ' B' ' 329' ' ' ILE . 96.7 mt -65.53 -41.15 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.396 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.77 -37.95 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.458 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 11.2 mt -71.26 -29.06 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.411 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.6 84.62 9.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.1 -5.6 15.15 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.774 2.316 . . . . 0.0 112.059 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.29 -6.47 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 95.4 mt -119.01 20.86 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.1 -55.87 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.39 -50.44 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.72 -36.18 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . 0.479 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 71.6 mt -79.06 -28.66 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' LEU . . . . . 0.639 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 41.6 mt -81.45 12.39 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.5 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.1 t -119.39 -15.48 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.85 120.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.85 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.449 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 0.4 OUTLIER -129.27 165.94 28.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 84.9 Cg_exo -44.48 125.24 5.89 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.796 2.331 . . . . 0.0 112.168 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.63 122.46 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -88.62 148.77 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 21.1 tt -102.94 136.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.72 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' ALA . . . . . 0.729 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.66 33.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.463 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -114.37 143.36 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.571 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.963 ' O ' ' N ' ' B' ' 356' ' ' GLY . 64.2 t0 -111.94 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 64.1 mttp -37.25 -62.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 93.7 t -39.51 -52.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 5.9 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.65 70.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 30.7 mmtp -115.06 154.92 27.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 358' ' ' ASP . . . . . 0.729 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.9 m-20 -94.76 143.05 26.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . 0.681 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.73 33.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.19 156.68 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 66.1 mt -108.57 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 362' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 21.5 p -168.2 168.66 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 363' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.2 p-10 -75.54 -10.28 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 364' ' ' TYR . . . . . 0.504 ' O ' ' CE2' ' B' ' 420' ' ' TYR . 87.5 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 365' ' ' ASN . . . . . 0.455 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 51.2 p30 -123.25 24.76 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 366' ' ' ARG . . . . . 0.515 ' NH1' ' OH ' ' B' ' 371' ' ' TYR . 56.4 ttt180 -119.98 129.87 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -122.18 99.5 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.03 -98.7 1.74 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -126.32 8.77 7.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.577 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 370' ' ' SER . . . . . 0.937 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 78.3 p -122.4 161.32 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 371' ' ' TYR . . . . . 1.105 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.8 m-85 -118.26 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . 0.534 ' NH2' ' OH ' ' B' ' 420' ' ' TYR . 4.9 mtp180 -98.76 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 373' ' ' SER . . . . . 0.57 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 87.4 p -79.62 133.77 58.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.789 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 374' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.6 Cg_exo -75.81 -14.82 19.3 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.857 2.371 . . . . 0.0 112.227 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -85.86 -66.28 0.92 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 68.0 p -83.14 -18.6 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 377' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' B' ' 373' ' ' SER . 49.6 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -141.56 137.91 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 379' ' ' TYR . . . . . 1.105 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.8 140.45 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.614 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 380' ' ' ASP . . . . . 0.863 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.97 -60.41 6.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.369 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 381' ' ' PRO . . . . . 0.937 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.1 Cg_exo -65.43 120.04 7.17 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.957 2.438 . . . . 0.0 112.327 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.61 79.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.984 2.456 . . . . 0.0 112.246 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . 0.611 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.2 tp -84.51 177.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.533 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -111.64 -72.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.02 66.02 0.72 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 386' ' ' GLY . . . . . 0.852 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.23 151.74 47.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -63.98 127.29 30.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 388' ' ' MET . . . . . 0.474 ' O ' ' SD ' ' B' ' 388' ' ' MET . 0.0 OUTLIER -132.31 148.6 70.36 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.98 150.76 49.32 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.119 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 142.92 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.63 -43.73 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -67.95 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.89 -42.42 70.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -55.32 -36.8 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.54 -46.56 85.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.44 -31.94 73.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.262 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -67.85 -38.05 82.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.06 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.436 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.74 -36.96 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.91 94.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 401' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.0 t-20 -63.91 -39.08 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.12 -40.41 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.375 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . 0.433 ' CB ' ' CD1' ' A' ' 274' ' ' ILE . . . -63.65 -47.96 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.394 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.31 -29.29 67.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 405' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 54.1 m-20 -54.57 -38.83 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.18 -32.78 56.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -69.79 -18.64 63.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 408' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 4.3 ttm180 -83.84 -35.46 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 409' ' ' ASP . . . . . 0.546 ' CG ' ' HZ2' ' C' ' 604' ' ' LYS . 17.0 t0 -85.2 -9.0 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 410' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 43.5 mt -95.8 -17.89 20.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 411' ' ' TYR . . . . . 0.999 ' CZ ' ' O ' ' A' ' 260' ' ' ARG . 1.7 t80 -118.89 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 77.1 m-85 -100.58 -25.98 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 413' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 97.6 mt-10 63.53 24.34 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.77 -154.49 25.46 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.38 -163.46 52.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 16.3 t -128.7 153.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.331 . . . . 0.0 110.447 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 47.4 t -143.57 148.52 36.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 26.4 t -148.21 143.99 27.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 97.2 t -132.9 130.21 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.534 ' OH ' ' NH2' ' B' ' 372' ' ' ARG . 77.5 t80 -128.5 132.43 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 158.4 26.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.686 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 422' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' B' ' 422' ' ' TRP . 2.0 p-90 -154.5 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -43.01 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 424' ' ' LEU . . . . . 0.471 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 55.1 mt -127.86 -147.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 425' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 52.6 t0 -87.34 -49.87 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -129.8 30.73 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.7 -135.64 2.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -170.71 154.13 4.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.533 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 429' ' ' ALA . . . . . 0.448 ' CB ' ' CE2' ' B' ' 422' ' ' TRP . . . -124.04 172.79 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 430' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.68 35.02 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 431' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.03 126.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.56 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 113.72 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' B' ' 450' ' ' SER . 30.8 mt -102.88 143.14 32.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 434' ' ' ILE . . . . . 0.482 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.6 mt -148.71 119.92 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -122.56 127.53 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 436' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.19 119.63 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.91 138.15 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.07 179.47 45.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.73 128.11 19.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.75 76.05 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.5 p -110.34 -4.25 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -89.22 153.91 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 443' ' ' LYS . . . . . 0.545 ' NZ ' ' CD2' ' C' ' 677' ' ' TYR . 6.1 pttm -56.94 -43.77 81.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 444' ' ' ILE . . . . . 0.448 ' H ' ' HG3' ' B' ' 443' ' ' LYS . 60.1 mt -95.16 135.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.689 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -105.75 154.73 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.356 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.77 152.4 24.51 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 8.1 t -149.44 130.65 14.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 448' ' ' TRP . . . . . 0.728 ' CZ2' ' CZ ' ' A' ' 259' ' ' ARG . 6.7 t-105 -114.81 116.22 28.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.817 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 449' ' ' ASP . . . . . 0.486 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.0 m-20 -109.43 127.18 54.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.288 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 450' ' ' SER . . . . . 0.631 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.3 m -115.92 122.78 46.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 88.9 mt -127.91 100.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 452' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 3.3 m170 -108.66 132.41 53.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.813 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.74 95.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.217 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.1 p -96.69 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -131.84 102.22 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.318 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 99.5 t -79.1 139.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -123.51 68.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -40.22 146.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 459' ' ' LYS . . . . . 0.536 ' HZ3' ' HG ' ' B' ' 460' ' ' SER . 28.7 tptp -109.37 141.97 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 460' ' ' SER . . . . . 0.536 ' HG ' ' HZ3' ' B' ' 459' ' ' LYS . 78.3 p -48.93 -54.15 16.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.75 146.57 50.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 462' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.76 48.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 59.17 -0.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.685 0.278 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 464' ' ' THR . . . . . 0.546 ' H ' ' C ' ' B' ' 462' ' ' GLY . 9.6 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.76 151.9 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.729 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -92.98 126.53 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.381 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -103.15 139.44 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -135.81 86.18 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 157.55 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 470' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' B' ' 470' ' ' THR . 15.1 t -157.85 62.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.077 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 471' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 11.9 p -64.65 174.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 472' ' ' THR . . . . . . . . . . . . . 6.2 m -168.77 87.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.113 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 473' ' ' VAL . . . . . 0.469 HG11 ' CH2' ' B' ' 448' ' ' TRP . 98.5 t -69.72 143.85 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 474' ' ' MET . . . . . 0.486 ' HB3' ' HB2' ' B' ' 449' ' ' ASP . 0.6 OUTLIER -124.82 96.05 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 33.7 mt -137.36 124.71 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.954 0.406 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 478' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' B' ' 479' ' ' THR . 41.4 tt0 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 479' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 478' ' ' GLN . 1.8 t -163.46 127.52 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 480' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 13.3 m120 -108.23 73.81 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 481' ' ' LYS . . . . . 0.875 ' O ' ' N ' ' B' ' 485' ' ' GLY . 3.4 ttmp? -107.66 146.68 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 60.9 p -57.31 -45.98 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.6 -25.26 68.67 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 484' ' ' SER . . . . . 0.447 ' O ' ' C ' ' B' ' 485' ' ' GLY . 51.8 p -125.92 14.85 7.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 110.611 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 485' ' ' GLY . . . . . 0.875 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.61 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 486' ' ' THR . . . . . 0.504 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 15.1 p -126.0 113.91 17.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 487' ' ' MET . . . . . 0.666 ' SD ' HG12 ' A' ' 243' ' ' ILE . 2.5 ttm -125.07 118.04 25.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 488' ' ' ASN . . . . . 0.544 HD21 ' C ' ' B' ' 487' ' ' MET . 4.0 m120 -119.0 123.97 45.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 489' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 13.4 tp -131.65 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.79 21.79 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 491' ' ' GLY . . . . . 0.633 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.82 -142.65 11.08 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 492' ' ' SER . . . . . 0.633 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 74.3 p 163.2 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.55 149.5 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 494' ' ' THR . . . . . 0.439 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 2.5 p -127.18 142.86 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.478 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 495' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.3 mmt180 -149.95 128.7 12.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -92.83 160.59 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.6 tpp -160.04 130.44 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.662 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 498' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.8 pm0 -133.5 141.57 47.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.551 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -172.2 145.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 500' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.0 p-10 -91.21 125.2 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -120.75 160.17 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 72.4 p -94.24 131.85 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.61 122.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 18.6 p -143.02 -177.23 5.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.9 -35.84 77.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.66 -19.85 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 27.6 t -135.5 73.45 62.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.5 -172.58 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.799 2.333 . . . . 0.0 112.145 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -58.82 -62.69 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 510' ' ' ILE . . . . . 0.42 HD12 ' H ' ' B' ' 510' ' ' ILE . 3.7 mp -42.7 -49.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.621 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.32 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.97 -48.14 80.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.08 -33.61 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.58 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 514' ' ' GLY . . . . . 0.518 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.72 -46.63 73.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -57.35 -44.31 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.27 . . . . 0.0 110.745 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.19 -52.52 62.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.5 -47.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.93 -51.71 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.746 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 519' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.9 t0 -63.52 -37.54 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.34 -49.44 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 521' ' ' GLU . . . . . 0.56 ' CG ' HH22 ' A' ' 259' ' ' ARG . 37.3 mt-10 -62.54 -45.33 93.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 522' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 56.3 t-20 -56.93 -41.41 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -70.62 -38.5 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 524' ' ' ILE . . . . . 0.458 HG21 HD12 ' B' ' 524' ' ' ILE . 26.7 mm -74.36 -24.41 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 525' ' ' ARG . . . . . 0.636 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.62 66.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.675 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 526' ' ' SER . . . . . 0.542 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 28.2 t -85.04 -38.71 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.1 m -66.08 -35.75 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 528' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 65.7 mt -65.0 -42.37 94.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.51 -31.29 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 530' ' ' GLU . . . . . 0.981 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.37 -54.43 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.37 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 532' ' ' TYR . . . . . 0.686 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 17.2 m-85 -50.26 -86.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 533' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.74 40.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . 0.981 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 29.0 mmtp -56.96 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.549 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.632 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.5 p -34.81 -57.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -50.39 -53.22 30.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -53.29 -44.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.78 -36.03 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.46 -41.94 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.656 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -69.82 -17.13 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.35 48.0 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . 0.438 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.12 -51.42 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.441 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 544' ' ' ARG . . . . . 0.749 ' HG2' ' O ' ' A' ' 135' ' ' HIS . 2.1 tmt_? -141.81 170.12 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.661 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 545' ' ' SER . . . . . 0.678 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.7 t -142.18 137.87 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 546' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' B' ' 547' ' ' ASP . 21.1 tt -69.05 -43.56 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 547' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' B' ' 548' ' ' ALA . 64.8 t0 -82.91 138.56 33.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 548' ' ' ALA . . . . . 0.529 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.43 122.06 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 551' ' ' ASP . 73.7 mt -79.5 112.7 30.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.3 Cg_exo -46.49 80.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.926 2.418 . . . . 0.0 112.085 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 54.6 p-10 -25.37 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 552' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 43.6 p-10 -129.85 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -85.25 -24.81 27.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.67 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 558' ' ' LEU . 87.5 tttt -52.59 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 555' ' ' TYR . . . . . 0.548 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.4 m-85 -45.25 -56.66 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.643 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -57.6 -46.9 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.732 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.83 -29.69 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.9 tp -77.76 -30.3 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -73.62 -36.36 65.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.682 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . 0.487 HH11 ' HG2' ' B' ' 560' ' ' ARG . 50.8 ttt-85 -58.2 -40.52 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 561' ' ' GLU . . . . . 0.891 ' O ' HG22 ' B' ' 565' ' ' VAL . 73.0 mm-40 -67.84 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . 0.734 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 82.5 mt -49.11 -40.65 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.683 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 563' ' ' SER . . . . . 0.797 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.9 m -61.19 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.694 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.653 ' NE2' HE22 ' B' ' 568' ' ' GLN . 54.2 tt0 -36.72 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.891 HG22 ' O ' ' B' ' 561' ' ' GLU . 64.4 t -72.14 -42.63 67.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' B' ' 566' ' ' LEU . 4.0 mm? -81.53 -35.55 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.5 p -70.25 -19.67 63.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 568' ' ' GLN . . . . . 0.653 HE22 ' NE2' ' B' ' 564' ' ' GLN . 79.9 mt-30 -117.47 6.62 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 22.1 ttm180 -160.99 -141.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.498 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 570' ' ' GLN . . . . . 0.805 ' O ' ' CB ' ' B' ' 571' ' ' ILE . 39.1 tt0 139.78 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 571' ' ' ILE . . . . . 0.805 ' CB ' ' O ' ' B' ' 570' ' ' GLN . 13.9 tt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.517 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -49.79 -37.81 31.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 604' ' ' LYS . . . . . 0.546 ' HZ2' ' CG ' ' B' ' 409' ' ' ASP . 90.1 mttt -69.76 -52.18 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -55.05 -28.98 56.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -75.65 -53.62 8.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 607' ' ' MET . . . . . 0.483 ' CE ' ' OE2' ' C' ' 633' ' ' GLU . 46.9 ttp -72.81 -36.83 67.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 608' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' C' ' 604' ' ' LYS . 76.2 t-105 -56.72 -16.01 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 609' ' ' ALA . . . . . 0.474 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.69 13.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 13.9 mt -66.22 1.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 611' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' C' ' 609' ' ' ALA . 62.8 tttp -102.04 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -70.39 -4.24 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 613' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.88 58.45 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 614' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.5 m-20 -63.89 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 615' ' ' LEU . . . . . 0.688 ' O ' HD21 ' C' ' 615' ' ' LEU . 2.8 tm? -45.05 -17.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' C' ' 614' ' ' ASP . 95.9 m-20 -77.69 -27.59 50.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 617' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.47 -49.86 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.85 -28.39 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 619' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' C' ' 615' ' ' LEU . 33.4 ttmt -66.21 -21.88 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.498 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 620' ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 63.0 t0 -75.32 -45.49 39.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -60.92 -59.19 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.71 -27.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 623' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.73 -16.76 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.79 -76.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.8 82.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.7 pt-20 34.26 95.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.84 0.353 . . . . 0.0 110.598 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 627' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 54.6 p30 -140.97 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 628' ' ' VAL . . . . . 0.66 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.5 t -121.97 76.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -172.99 5.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 630' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.6 mtt-85 -79.0 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 631' ' ' THR . . . . . 0.5 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.09 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.595 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 632' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' C' ' 631' ' ' THR . 40.7 tp -31.38 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.483 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 68.2 mm-40 -71.73 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.35 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 635' ' ' GLY . . . . . . . . . . . . . . . -163.45 22.72 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -127.91 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 637' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' C' ' 639' ' ' LEU . 12.7 mptt -108.42 157.0 37.63 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.67 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.855 2.37 . . . . 0.0 112.135 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 639' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' C' ' 637' ' ' LYS . 0.6 OUTLIER -117.76 -16.27 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.544 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -75.28 -43.83 49.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -71.68 -36.03 70.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 642' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -44.93 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.49 62.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 644' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.65 -35.63 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 5.3 p -160.91 65.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.601 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 646' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.03 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 647' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.1 mm100 51.62 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.325 . . . . 0.0 110.577 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 648' ' ' LEU . . . . . 0.856 ' N ' HD11 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.59 7.03 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 649' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 647' ' ' GLN . 2.9 mp0 -115.79 -12.62 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 650' ' ' ILE . . . . . 0.456 ' O ' HD21 ' C' ' 654' ' ' LEU . 1.0 OUTLIER -87.47 -36.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 1.081 HD23 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.31 -52.94 61.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.543 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 652' ' ' GLU . . . . . 1.081 ' H ' HD23 ' C' ' 651' ' ' LEU . 91.0 mt-10 -56.18 -22.62 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.6 OUTLIER -75.83 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 654' ' ' LEU . . . . . 0.66 ' O ' HG11 ' C' ' 628' ' ' VAL . 0.9 OUTLIER -41.45 6.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 10.6 tp -102.97 -47.87 4.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.27 -25.33 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -72.84 -90.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.508 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 658' ' ' GLY . . . . . . . . . . . . . . . -65.31 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 659' ' ' ALA . . . . . 0.707 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.07 33.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.599 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 660' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' C' ' 662' ' ' ASN . 90.1 m-20 -57.37 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 661' ' ' ILE . . . . . 0.707 ' H ' ' C ' ' C' ' 659' ' ' ALA . 0.0 OUTLIER -66.05 1.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 662' ' ' ASN . . . . . 1.039 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.5 p30 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 663' ' ' ALA . . . . . 0.752 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.15 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 664' ' ' PRO . . . . . 1.039 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 86.6 Cg_exo -46.98 120.83 4.48 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.928 2.419 . . . . 0.0 112.094 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -125.91 -50.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -78.79 -16.14 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 667' ' ' HIS . . . . . 0.632 ' HD1' ' N ' ' C' ' 667' ' ' HIS . 0.6 OUTLIER -80.48 -6.29 57.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 40.61 37.27 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 18.1 tt -176.89 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.57 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 670' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.19 168.7 10.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 671' ' ' PRO . . . . . 0.521 ' O ' ' OG ' ' C' ' 674' ' ' SER . 49.9 Cg_endo -72.51 -30.49 12.21 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.789 2.326 . . . . 0.0 112.109 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 23.7 tp -45.33 -49.11 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 673' ' ' LEU . . . . . 0.623 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.85 -27.79 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 674' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 19.5 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 675' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.04 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 676' ' ' VAL . . . . . 0.623 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 13.2 t -47.16 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 677' ' ' TYR . . . . . 0.545 ' CD2' ' NZ ' ' B' ' 443' ' ' LYS . 1.2 m-85 -77.82 39.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 678' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' C' ' 676' ' ' VAL . 33.3 tp10 -124.54 -28.68 3.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.0 m-70 -71.94 -53.58 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 0.0 110.55 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 681' ' ' VAL . . . . . 0.646 ' O ' HG22 ' C' ' 684' ' ' VAL . 10.7 m 43.28 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.1 m -67.45 -24.28 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 683' ' ' CYS . . . . . 0.47 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 0.9 OUTLIER -91.0 -48.61 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 684' ' ' VAL . . . . . 0.646 HG22 ' O ' ' C' ' 681' ' ' VAL . 3.8 m -41.9 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 685' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' C' ' 687' ' ' LEU . 25.6 mtpp -62.55 -73.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.91 1.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 687' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.1 tp -81.85 -70.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 688' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' C' ' 691' ' ' GLY . 16.8 tp -45.64 -21.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.491 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 689' ' ' SER . . . . . 0.419 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.3 m -55.7 -21.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -99.58 -6.32 27.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 691' ' ' GLY . . . . . 1.081 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 693' ' ' ASP . . . . . 1.081 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.4 t0 33.19 -128.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -152.5 -23.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 5.4 m -156.53 73.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.5 t -93.51 -29.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -140.16 23.59 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.69 142.78 20.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 699' ' ' PRO . . . . . 0.646 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 84.6 Cg_exo -44.83 -27.74 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.845 2.363 . . . . 0.0 112.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 700' ' ' ASP . . . . . 0.646 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.8 t70 157.73 -112.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 701' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 702' ' ' LEU . . . . . 0.648 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.3 tp -53.83 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 703' ' ' THR . . . . . 0.648 ' C ' ' O ' ' C' ' 702' ' ' LEU . 81.9 p 16.2 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 704' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' C' ' 707' ' ' ALA . . . -106.63 -18.59 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 705' ' ' LEU . . . . . 0.557 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.6 tp -62.89 -75.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.547 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.67 15.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.498 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 707' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 708' ' ' THR . . . . . 0.437 ' O ' ' OD1' ' C' ' 709' ' ' ASP . 56.9 p -139.77 -142.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 709' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 708' ' ' THR . 77.9 m-20 -148.87 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -72.57 151.84 42.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -71.54 -20.5 62.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.36 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 12.2 mt -70.02 -37.68 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -51.99 -29.95 22.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 716' ' ' LEU . . . . . 0.837 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 717' ' ' LEU . . . . . 0.837 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 11.9 mt 124.12 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.575 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 718' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 41.5 tp60 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.616 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' A' ' 7' ' ' ARG . 57.2 ttt-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.17 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.0 p -45.88 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.93 -33.59 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.52 -39.31 87.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.61 -40.89 84.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.625 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -63.7 -35.91 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.24 -43.77 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -61.62 -39.73 92.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.34 -47.39 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.9 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.67 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.9 -41.37 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.14 -44.84 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.66 -46.52 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.539 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 69.6 p -75.97 8.47 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.72 15.36 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.49 146.92 81.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.521 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.6 Cg_endo -68.2 167.56 21.67 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.751 2.301 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -70.97 116.22 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.095 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.44 35.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.521 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 42.8 mt-10 -149.28 37.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.781 0.324 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.91 -48.79 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -57.12 -57.35 12.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 42.0 mp0 -44.49 -54.43 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.78 -42.51 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.647 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -59.18 -50.88 72.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.03 -37.96 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.05 -42.12 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.04 -41.86 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.605 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.36 -54.82 41.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.36 -34.72 72.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.19 -49.81 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 67.1 t30 46.66 49.66 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.509 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 46.5 m-20 -168.64 79.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.649 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -51.85 -37.91 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.18 -44.17 71.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -77.35 -30.82 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.73 -38.75 91.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.554 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.13 -35.59 80.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -40.97 -59.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.2 -56.82 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.5 87.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.34 -37.01 64.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.552 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.38 12.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.495 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -46.56 -56.57 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.63 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.564 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.3 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.04 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -46.95 -30.99 2.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.547 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.7 ttp -68.8 -66.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.87 10.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.619 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.5 mm100 -124.54 24.73 7.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.3 m-30 23.9 44.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.517 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.4 m -58.84 111.35 3.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.601 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.67 115.18 4.13 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.949 2.433 . . . . 0.0 112.199 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 12.3 p -109.42 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 87.1 tttt -125.11 103.91 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.64 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.646 ' O ' ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.52 148.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.627 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.646 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.2 tm-20 -13.27 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.43 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.45 14.79 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.621 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.603 ' C ' ' O ' ' A' ' 70' ' ' TYR . 66.2 t0 20.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 1.055 ' O ' ' N ' ' A' ' 74' ' ' VAL . 9.5 t70 -98.74 19.43 14.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.4 mm100 -0.3 50.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.055 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.537 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 57.6 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.526 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.418 HD12 HG21 ' A' ' 76' ' ' ILE . 96.5 mt -104.07 105.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.1 -176.92 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.79 -31.27 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.03 -23.58 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.511 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.19 15.65 50.61 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -85.53 100.01 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 0.0 110.597 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 86' ' ' ARG . 56.0 tp -49.65 -51.5 37.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.65 25.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.734 0.302 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.18 -15.72 9.35 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.527 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.3 OUTLIER -108.38 168.75 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.586 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.55 -170.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' GLY . 63.9 mt -118.3 157.4 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.684 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.5 t0 -139.38 88.99 12.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.434 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -60.95 -36.68 81.87 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.827 2.351 . . . . 0.0 112.033 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.45 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.674 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.4 t-20 -76.46 -20.4 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.684 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 52.9 mtmt 62.81 62.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.523 ' CD1' ' OD1' ' A' ' 92' ' ' ASN . 24.1 pt -146.44 154.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.828 ' O ' ' N ' ' A' ' 109' ' ' GLN . 3.8 t -92.71 133.05 36.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.724 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.0 p90 -140.15 136.65 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 17.7 ttmm -88.71 113.38 24.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.556 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.854 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 48.9 t80 -82.63 133.08 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.605 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.666 ' H ' ' HB2' ' A' ' 105' ' ' ALA . 9.0 t70 -104.59 90.17 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.495 ' CB ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.43 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -47.43 -81.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.86 156.34 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -88.88 2.27 54.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 104' ' ' GLU . 48.9 mp0 -117.24 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.854 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.3 m -95.56 -164.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.79 54.49 0.28 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.539 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.812 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.55 -177.74 3.26 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.791 2.328 . . . . 0.0 112.123 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.828 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.7 mt-30 -160.15 124.51 2.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.09 131.0 17.09 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.818 2.346 . . . . 0.0 112.045 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -122.89 102.44 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.45 88.45 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 82.1 p -46.91 164.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.07 -30.05 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.93 35.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.78 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.648 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.11 3.38 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' GLN . 10.6 mmtp -54.03 -41.9 68.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.477 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' LYS . 84.2 mt-30 -39.17 -55.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -62.55 -47.56 83.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.1 tmm_? -53.94 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.567 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.9 m-20 -25.46 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.01 -67.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.14 -48.49 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.433 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.1 t70 -40.48 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 32.0 m -47.97 -46.24 32.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.85 -12.21 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.631 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.42 -32.77 74.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.625 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.57 -39.3 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.547 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.0 t80 -54.74 -38.79 67.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' A' ' 134' ' ' ASP . 88.3 t -74.75 -40.54 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.49 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.3 mttt -76.14 25.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.58 7.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.685 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.7 m80 -151.07 -21.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.8 m-85 -114.74 106.44 52.02 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.443 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.57 -57.15 2.36 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.75 2.3 . . . . 0.0 112.081 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -127.55 50.1 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -135.06 158.14 45.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.51 162.27 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.6 m -161.35 97.36 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.3 t -75.74 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.6 m-85 -120.22 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.553 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.76 84.5 0.37 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -123.76 167.43 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.2 t -107.63 115.43 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.552 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 14.0 mt -91.24 104.12 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.595 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.63 54.19 9.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.89 -62.78 4.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -53.79 129.85 34.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.644 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.65 ' H ' HG23 ' A' ' 181' ' ' ILE . 35.0 mt-30 -85.82 150.49 24.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.718 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.1 t -155.27 146.11 22.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.719 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 179' ' ' PHE . 4.8 mp -108.46 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.13 117.1 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.89 115.99 27.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.295 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 85.7 m -106.1 135.41 47.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.8 mt -122.76 137.73 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.192 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.519 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.37 151.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 0.0 111.051 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.699 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.88 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.212 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.62 170.62 15.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.964 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.0 mm-40 -148.66 77.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.43 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.983 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.441 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.96 66.08 0.73 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' PRO . . . . . 0.681 ' C ' ' H ' ' A' ' 167' ' ' ASN . 19.2 Cg_endo -60.72 -52.03 4.23 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.733 2.289 . . . . 0.0 112.144 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.91 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . 0.681 ' H ' ' C ' ' A' ' 165' ' ' PRO . 11.9 m120 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.846 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 57.3 m-85 70.02 80.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.846 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.4 p-90 158.76 127.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.95 162.3 33.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.38 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.82 163.15 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.619 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 26.9 ttp180 -165.73 136.61 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' TRP . . . . . 0.699 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.5 t-105 -107.53 138.91 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.503 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 56.0 mtm180 -125.37 152.27 45.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.199 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.32 111.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.665 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 80.7 tt0 -116.42 124.7 50.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.114 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . 0.692 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 67.9 m95 -120.61 116.93 26.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.944 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.57 119.85 37.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.718 ' O ' ' HA ' ' A' ' 153' ' ' THR . 33.5 m-85 -117.53 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.755 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.679 ' O ' ' O ' ' A' ' 179' ' ' PHE . 17.6 p -50.11 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' ILE . . . . . 0.699 ' O ' ' OG1' ' A' ' 182' ' ' THR . 0.1 OUTLIER -164.33 151.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.91 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.4 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.47 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 1.067 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 89.0 Cg_exo -34.26 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.415 2.743 . . . . 0.0 112.738 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . 0.91 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.1 Cg_endo -79.8 -4.35 13.36 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.14 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' THR . . . . . 1.048 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 1.114 ' HB2' ' C ' ' A' ' 216' ' ' VAL . . . 65.83 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.931 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 1.03 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 24.8 mp0 -106.72 -115.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.271 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.834 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 2.7 t 145.65 173.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' ALA . . . . . 0.766 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.407 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.63 2.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.43 ' CG2' ' OD1' ' A' ' 211' ' ' ASP . 3.5 p -165.75 115.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.533 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 7.2 mp -85.49 157.83 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -150.39 147.82 28.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.747 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 68.1 mt -149.49 134.08 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.221 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -142.31 130.26 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.949 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.69 136.61 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.158 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . 0.779 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.955 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.7 t80 -145.6 87.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.307 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.761 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.5 p90 -100.04 87.74 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' GLU . . . . . 0.802 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 23.9 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' ASP . . . . . 0.802 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.2 m-20 114.86 2.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.399 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.69 -129.11 1.08 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.5 t30 -172.85 99.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.583 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.05 129.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.6 mt-30 -136.78 154.08 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 13.0 tp -122.25 87.19 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.696 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 86.5 t -90.06 122.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 47.4 t -149.61 147.21 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -157.87 145.09 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.212 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -135.45 129.07 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.903 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' ASP . . . . . 0.43 ' OD1' ' CG2' ' A' ' 191' ' ' VAL . 66.0 m-20 -103.55 129.82 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.259 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 96.4 mt -127.16 154.85 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.916 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.339 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' ASP . . . . . 0.63 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 33.9 t70 -118.84 166.09 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.705 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' SER . . . . . 1.03 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 19.8 p -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' VAL . . . . . 1.114 ' C ' ' HB2' ' A' ' 186' ' ' ALA . 2.7 p -91.93 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' GLN . . . . . 1.048 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.9 pt20 -102.6 128.02 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' VAL . . . . . 1.067 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 64.6 t -86.03 137.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' SER . . . . . 0.905 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.3 t -130.98 -98.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' SER . . . . . 0.493 ' O ' ' CG2' ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.27 -163.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' ASP . . . . . 0.498 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.4 p-10 -86.85 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . 0.498 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 87.6 t -70.09 -24.73 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -73.92 -56.78 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.905 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.9 p -54.64 -36.87 65.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.54 -57.1 14.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.483 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -57.09 -30.52 64.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.374 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -67.61 -38.76 84.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -67.74 -53.94 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.389 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.2 -27.32 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.359 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 234' ' ' ASN . 65.7 tttm -74.84 -36.71 62.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 95.5 mt -67.5 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 232' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 177' ' ' TRP . 54.5 mt -70.05 -44.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -57.1 -47.03 82.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 234' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 230' ' ' LYS . 3.2 m-80 -69.6 -43.89 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.96 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 236' ' ' GLU . . . . . 0.434 ' OE1' ' OH ' ' A' ' 131' ' ' TYR . 69.5 mt-10 -60.21 -44.12 95.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 237' ' ' ASN . . . . . 0.459 ' O ' ' OG1' ' A' ' 241' ' ' THR . 93.8 m-20 -60.01 -40.21 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.75 -34.35 73.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -68.46 -44.44 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -68.16 -38.98 82.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 241' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 19.6 m -61.5 -45.7 93.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.57 71.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.24 -47.49 73.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.67 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -66.84 -42.97 84.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 246' ' ' ASN . . . . . 0.584 HD22 ' CB ' ' B' ' 484' ' ' SER . 51.9 m-20 -62.13 -34.6 76.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 247' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -64.89 -31.96 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -73.21 -50.87 20.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 249' ' ' THR . . . . . 0.542 ' O ' ' HB ' ' A' ' 253' ' ' THR . 12.4 m -64.8 -34.78 79.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 250' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 26.8 mtp -72.93 -14.44 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.8 p -112.99 -10.13 13.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 252' ' ' ASP . . . . . 0.654 ' O ' ' OG1' ' A' ' 253' ' ' THR . 98.1 m-20 -132.14 47.75 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.566 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 253' ' ' THR . . . . . 0.654 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.9 m 175.75 -79.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 254' ' ' THR . . . . . 0.531 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 10.4 m -53.5 -61.28 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -47.65 -57.56 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.16 -11.84 34.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.22 -18.24 30.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.03 -91.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 259' ' ' ARG . . . . . 0.653 HH22 ' CA ' ' B' ' 521' ' ' GLU . 0.0 OUTLIER -98.67 174.43 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.435 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 260' ' ' ARG . . . . . 0.54 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 20.0 mmm180 -109.17 153.2 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -83.7 -11.32 57.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.59 133.29 3.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 263' ' ' PRO . . . . . 0.705 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 74.5 Cg_exo -43.99 135.39 7.94 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.895 2.396 . . . . 0.0 112.057 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 264' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 263' ' ' PRO . 61.5 t -37.71 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 67.5 p -64.2 -5.4 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 266' ' ' ARG . . . . . 0.698 ' N ' ' O ' ' A' ' 263' ' ' PRO . 33.8 ttt180 54.15 55.53 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.9 m 173.3 114.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 53.3 mtpt -16.85 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 269' ' ' ILE . . . . . 0.463 ' H ' HD13 ' A' ' 269' ' ' ILE . 3.8 mp -50.29 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.514 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . 0.799 ' O ' ' N ' ' A' ' 273' ' ' LYS . 67.0 t0 -117.12 58.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 271' ' ' TRP . . . . . 0.602 ' C ' ' O ' ' A' ' 270' ' ' ASP . 72.3 m95 -21.5 -55.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 270' ' ' ASP . 73.8 m-20 -44.57 -25.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.65 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . 1.209 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.7 pttt -99.97 -7.73 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 274' ' ' ILE . . . . . 0.593 ' N ' ' O ' ' A' ' 271' ' ' TRP . 15.3 mm -103.13 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . 0.705 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.8 mt -111.07 44.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 276' ' ' SER . . . . . 1.29 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.9 p 141.97 -38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 1.209 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.9 t80 -30.99 43.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 278' ' ' LYS . . . . . 1.29 ' N ' ' O ' ' A' ' 276' ' ' SER . 17.8 tptm -107.66 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 1.046 ' O ' ' O ' ' A' ' 280' ' ' GLY . 3.0 pt 54.25 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 280' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.11 0.0 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.547 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 302' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 19.5 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -42.77 -51.26 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.479 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -55.27 -34.22 63.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 305' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.64 -49.13 78.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.23 -40.6 77.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.437 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.85 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.37 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 96.5 m -68.1 -37.16 80.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.395 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.06 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.341 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.36 -38.41 84.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.339 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -68.36 -33.59 74.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.81 -43.76 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.0 mmm -64.4 -25.57 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 314' ' ' ARG . . . . . 0.415 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 63.9 mtp180 -82.31 -12.38 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 315' ' ' ARG . . . . . 0.587 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.5 mtt-85 -100.04 -46.87 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.518 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.66 147.73 95.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.59 128.38 20.8 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.859 2.372 . . . . 0.0 112.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.4 -4.1 14.3 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.913 2.409 . . . . 0.0 112.048 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -80.52 -17.87 50.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -123.9 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.4 -40.93 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -54.63 -54.41 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -54.67 -55.79 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.8 tp -47.13 -48.93 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.458 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.9 t -57.14 -49.68 75.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.382 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 61.1 tp -55.5 -41.06 72.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.507 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' ILE . . . . . 0.409 HG23 HD11 ' B' ' 329' ' ' ILE . 96.7 mt -65.44 -41.2 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.423 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -37.96 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.27 -29.06 64.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.54 84.64 9.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.473 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -68.16 -5.52 15.0 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.723 2.282 . . . . 0.0 112.082 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 96.5 p -89.35 -6.44 56.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.613 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.476 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 89.8 mt -119.07 20.9 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 11.6 t -64.1 -55.9 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.34 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.7 -36.16 73.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . 0.476 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 74.6 mt -79.04 -28.63 43.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' LEU . . . . . 0.643 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.4 mt -81.54 12.47 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.3 p -144.08 -3.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 59.7 p -119.38 -15.49 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 84.1 t -105.88 120.03 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.82 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.447 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.94 28.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.41 125.28 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.835 2.357 . . . . 0.0 112.095 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.67 122.48 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -88.65 148.79 23.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.93 136.36 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' ALA . . . . . 0.726 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.65 157.65 33.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.437 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -114.31 143.35 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.602 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.975 ' O ' ' N ' ' B' ' 356' ' ' GLY . 67.7 m-20 -111.9 81.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 88.7 tttt -37.23 -63.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.583 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' VAL . . . . . 0.498 HG21 ' H ' ' B' ' 355' ' ' VAL . 0.7 OUTLIER -39.5 -52.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 355' ' ' VAL . . . . . 0.498 ' H ' HG21 ' B' ' 354' ' ' VAL . 43.7 t -92.94 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . 0.975 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.62 70.66 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 352' ' ' ASP . 13.4 tptm -115.06 154.93 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.613 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 358' ' ' ASP . . . . . 0.726 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 97.3 m-20 -94.84 143.1 26.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . 0.696 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.6 p90 -139.68 135.74 33.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 64.9 mt -69.19 156.65 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' B' ' 365' ' ' ASN . 66.3 mt -108.58 158.57 17.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 362' ' ' CYS . . . . . 0.441 ' O ' ' OD1' ' B' ' 365' ' ' ASN . 25.1 p -168.23 168.64 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 363' ' ' ASP . . . . . 0.643 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.9 t70 -75.56 -10.27 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 364' ' ' TYR . . . . . 0.623 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 42.1 m-85 -88.37 -18.17 28.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 365' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' B' ' 362' ' ' CYS . 33.7 p-10 -123.25 24.79 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -119.94 129.89 54.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -122.27 99.51 6.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.74 1.75 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.29 8.68 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 370' ' ' SER . . . . . 0.981 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.5 p -122.41 161.33 23.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.363 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 371' ' ' TYR . . . . . 1.117 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.1 m-85 -118.26 150.77 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.564 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . 0.596 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.3 ttp180 -98.81 124.75 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 373' ' ' SER . . . . . 0.577 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.4 t -79.54 133.71 59.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.808 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.84 -14.78 19.26 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.855 2.37 . . . . 0.0 112.241 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -85.9 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.6 p -83.15 -18.67 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.566 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 377' ' ' ASN . . . . . 0.577 ' HA ' ' O ' ' B' ' 373' ' ' SER . 42.6 t30 70.31 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -141.58 137.88 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 379' ' ' TYR . . . . . 1.117 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 34.9 m-85 -65.79 140.44 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 380' ' ' ASP . . . . . 0.769 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.41 6.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.347 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 381' ' ' PRO . . . . . 0.981 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.7 Cg_exo -65.41 120.02 7.15 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.952 2.435 . . . . 0.0 112.347 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -41.54 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.995 2.463 . . . . 0.0 112.306 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . 0.63 ' CD2' ' H ' ' B' ' 384' ' ' GLU . 0.5 OUTLIER -84.5 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.51 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . 0.63 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 76.3 mt-10 -111.71 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -116.97 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.556 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.71 47.39 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 387' ' ' ALA . . . . . 0.575 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.99 127.25 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.7 mtt -132.25 148.57 70.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.95 150.71 49.44 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.789 2.326 . . . . 0.0 112.149 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 142.91 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.59 -43.79 5.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -67.9 -37.79 82.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.491 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.4 tp -70.9 -42.42 69.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . 0.564 ' NH1' ' OE1' ' B' ' 397' ' ' GLU . 25.1 tpt180 -55.34 -36.84 66.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -63.44 -46.65 85.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.42 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.302 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 397' ' ' GLU . . . . . 0.564 ' OE1' ' NH1' ' B' ' 394' ' ' ARG . 42.0 tt0 -67.76 -38.13 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.0 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.66 -37.03 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.357 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.96 94.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.399 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 401' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 58.3 m-80 -63.89 -39.01 93.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.362 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -72.17 -40.39 67.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.0 79.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -69.31 -29.22 67.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.59 -38.85 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -77.09 -32.85 56.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.354 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.8 -18.61 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 408' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -83.86 -35.48 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.16 -8.94 58.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.566 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 410' ' ' LEU . . . . . 0.637 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 55.1 mt -95.86 -17.84 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 411' ' ' TYR . . . . . 0.705 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.06 3.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 90.9 m-85 -100.55 -25.97 14.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 63.58 24.3 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 414' ' ' GLY . . . . . 0.463 ' O ' ' CD ' ' B' ' 408' ' ' ARG . . . 162.74 -154.48 25.45 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.4 -163.49 52.94 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.8 t -128.7 153.73 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 39.9 t -143.59 148.46 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.67 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.4 m -148.17 143.99 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 55.9 t -132.86 130.23 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.53 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 59.6 m-85 -128.47 132.46 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.366 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.2 mt -119.66 158.39 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 422' ' ' TRP . . . . . 0.663 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 33.0 p90 -154.47 110.52 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.513 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -43.01 159.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 424' ' ' LEU . . . . . 0.45 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 57.1 mt -127.92 -147.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 425' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 36.2 m-20 -87.29 -49.87 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.77 30.75 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.66 2.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.77 154.05 4.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 429' ' ' ALA . . . . . 0.663 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 430' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.72 35.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 431' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.6 p -130.07 126.38 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 432' ' ' ILE . . . . . 0.421 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.35 113.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' B' ' 450' ' ' SER . 55.2 mt -102.85 143.2 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 434' ' ' ILE . . . . . 0.559 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 30.9 mt -148.72 119.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -122.55 127.53 49.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 436' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' B' ' 437' ' ' ALA . 0.0 OUTLIER -137.19 119.59 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.548 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . 0.523 ' N ' ' HD2' ' B' ' 436' ' ' LYS . . . -103.9 138.18 40.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.1 179.48 45.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 439' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' B' ' 441' ' ' SER . 5.5 t70 -50.72 128.08 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 441' ' ' SER . . . . . 0.571 ' N ' ' OD1' ' B' ' 439' ' ' ASP . 45.1 p -110.35 -4.31 15.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.664 ' HZ2' ' HE2' ' C' ' 640' ' ' HIS . 42.5 mmtt -89.19 153.92 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.485 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -56.93 -43.8 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 18.1 mt -95.15 135.94 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -105.74 154.72 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.36 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.44 24.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.49 130.62 14.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.206 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 448' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.1 t-105 -114.81 116.25 28.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 449' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 474' ' ' MET . 0.9 OUTLIER -109.47 127.22 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 450' ' ' SER . . . . . 0.559 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 0.9 OUTLIER -115.98 122.69 46.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 0.0 110.908 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.85 100.79 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 452' ' ' HIS . . . . . 0.604 ' ND1' ' OG ' ' B' ' 471' ' ' SER . 13.3 m-70 -108.69 132.47 53.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.83 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 67.2 t -128.77 95.65 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 11.7 p -96.71 153.63 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -131.84 102.21 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.06 139.63 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -40.31 146.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 459' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.9 mmtp -109.33 141.98 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.96 -54.18 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.6 p -126.7 146.5 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 462' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.7 48.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 59.13 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 464' ' ' THR . . . . . 0.575 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.8 t -82.25 123.62 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.443 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.77 151.89 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 466' ' ' HIS . . . . . 0.527 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.4 t-160 -92.93 126.54 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.352 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -103.15 139.47 38.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . 0.403 ' CE ' ' NE2' ' B' ' 496' ' ' GLN . 87.8 tttt -135.81 86.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.149 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 469' ' ' LEU . . . . . 0.67 HD11 ' H ' ' B' ' 470' ' ' THR . 58.8 tp -82.15 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 470' ' ' THR . . . . . 0.67 ' H ' HD11 ' B' ' 469' ' ' LEU . 15.2 m -157.87 62.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 471' ' ' SER . . . . . 0.604 ' OG ' ' ND1' ' B' ' 452' ' ' HIS . 6.4 m -64.68 174.63 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.073 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 472' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 471' ' ' SER . 51.6 m -168.78 87.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.136 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 473' ' ' VAL . . . . . 0.461 HG13 ' CH2' ' B' ' 448' ' ' TRP . 76.8 t -69.66 143.79 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 474' ' ' MET . . . . . 0.467 ' O ' ' OD1' ' B' ' 449' ' ' ASP . 10.3 mtp -124.75 95.96 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.186 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 475' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 8.8 tp -86.65 131.15 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -125.27 130.28 51.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 10.0 mt -137.37 124.64 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 478' ' ' GLN . . . . . 0.502 ' CD ' HD22 ' B' ' 488' ' ' ASN . 54.0 tt0 -138.13 158.13 44.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.41 127.5 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.628 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 480' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 14.0 m120 -108.21 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 16.2 tptm -107.64 146.56 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.24 -45.94 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.66 -25.27 68.77 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 484' ' ' SER . . . . . 0.584 ' CB ' HD22 ' A' ' 246' ' ' ASN . 73.2 m -125.95 14.9 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 486' ' ' THR . . . . . 0.446 ' N ' ' O ' ' B' ' 484' ' ' SER . 72.2 p -126.06 113.96 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 23.5 ttt -125.12 118.07 25.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 488' ' ' ASN . . . . . 0.502 HD22 ' CD ' ' B' ' 478' ' ' GLN . 25.7 m120 -119.0 123.96 45.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 489' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 15.8 tp -131.64 76.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.86 21.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 491' ' ' GLY . . . . . 0.659 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.63 11.06 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 492' ' ' SER . . . . . 0.659 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 80.5 p 163.23 135.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.54 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 494' ' ' THR . . . . . . . . . . . . . 55.2 m -127.14 142.84 51.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -149.95 128.7 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 496' ' ' GLN . . . . . 0.403 ' NE2' ' CE ' ' B' ' 468' ' ' LYS . 45.8 tt0 -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 51.8 ttp -160.08 130.51 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.58 141.58 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -172.18 145.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 500' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.7 m-20 -91.25 125.19 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 501' ' ' GLU . . . . . 0.434 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.5 tt0 -120.66 160.21 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.8 m -94.29 131.84 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.65 122.39 50.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 19.7 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.97 -35.84 77.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 506' ' ' SER . . . . . 0.416 ' O ' ' OD1' ' A' ' 272' ' ' ASN . 78.2 p -83.66 -19.87 34.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.3 t -135.43 73.46 62.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.55 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.765 2.31 . . . . 0.0 112.168 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -58.75 -62.7 1.67 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.0 mt -42.72 -49.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.21 72.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 512' ' ' ASN . . . . . 0.434 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.8 m-20 -62.95 -48.19 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.1 -33.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.7 -46.61 74.06 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.32 -44.36 84.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.661 0.267 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.23 -52.54 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.558 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 50.2 t -55.45 -47.13 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.92 -51.69 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.758 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.59 -37.49 87.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 27.5 tpp -64.36 -49.45 71.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.695 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 521' ' ' GLU . . . . . 0.653 ' CA ' HH22 ' A' ' 259' ' ' ARG . 4.4 mt-10 -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.88 -41.5 78.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.57 -38.51 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 92.7 mt -74.38 -24.34 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 525' ' ' ARG . . . . . 0.649 ' CG ' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.69 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.693 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 526' ' ' SER . . . . . 0.537 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 4.9 t -84.99 -38.77 18.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.9 m -66.04 -35.71 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.681 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 528' ' ' LEU . . . . . 0.693 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 40.2 mt -64.99 -42.36 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.55 -31.32 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 530' ' ' GLU . . . . . 0.96 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.39 -54.41 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 531' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 531' ' ' ILE . 48.8 mm -64.42 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 532' ' ' TYR . . . . . 0.693 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 14.0 m-85 -50.26 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.574 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.84 40.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . 0.96 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.06 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 535' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.9 tptt -56.9 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.501 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.622 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -57.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.35 -53.31 29.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.644 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.14 -44.97 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 539' ' ' ILE . . . . . 0.449 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 90.9 mt -61.72 -36.04 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.666 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.46 -42.0 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -69.73 -17.18 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.37 48.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 539' ' ' ILE . 15.1 mt -68.08 -51.44 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.715 0.293 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 544' ' ' ARG . . . . . 0.756 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.663 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 545' ' ' SER . . . . . 0.756 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 35.2 t -142.21 137.88 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.15 -43.48 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.86 138.63 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.627 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 548' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.11 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.44 112.64 30.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' B' ' 551' ' ' ASP . 72.1 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.869 2.379 . . . . 0.0 112.126 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' B' ' 550' ' ' PRO . 52.5 p-10 -25.27 145.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.95 116.18 18.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.3 -24.72 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 558' ' ' LEU . 1.8 mptm? -52.63 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -45.23 -56.59 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.65 -46.85 83.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 557' ' ' GLN . . . . . 0.408 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.7 tm0? -65.84 -29.65 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.5 tp -77.81 -30.29 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.702 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -73.65 -36.29 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.688 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.2 -40.58 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 561' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' B' ' 564' ' ' GLN . 97.4 mt-10 -67.84 -61.68 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.4 mt -49.12 -40.72 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.5 m -61.15 -76.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.3 pt20 -36.69 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.07 -42.69 67.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.637 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' B' ' 563' ' ' SER . 49.1 mt -81.49 -35.59 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.4 p -70.31 -19.57 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -117.54 6.64 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 569' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 24.3 ttp180 -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 570' ' ' GLN . . . . . 0.8 ' O ' ' CB ' ' B' ' 571' ' ' ILE . 40.0 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 571' ' ' ILE . . . . . 0.8 ' CB ' ' O ' ' B' ' 570' ' ' GLN . 13.8 tt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.46 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 601' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.6 m 62.11 5.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.53 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 603' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' C' ' 601' ' ' MET . 96.9 m-20 -49.76 -37.86 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 604' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' C' ' 608' ' ' TRP . 64.9 tttp -69.66 -52.26 27.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -55.09 -28.92 56.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -75.64 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 607' ' ' MET . . . . . 0.411 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 12.0 ptt? -72.77 -36.82 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 608' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' C' ' 604' ' ' LYS . 73.6 t-105 -56.74 -16.08 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 609' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.44 -50.58 13.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.31 1.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 611' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' C' ' 609' ' ' ALA . 18.8 mmtt -102.05 -66.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 612' ' ' ASN . . . . . 0.405 ' OD1' ' NE1' ' C' ' 608' ' ' TRP . 4.2 m120 -70.41 -4.18 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 613' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.97 58.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 614' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' C' ' 616' ' ' ASP . 3.6 m-20 -63.96 49.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 615' ' ' LEU . . . . . 0.621 ' O ' HD21 ' C' ' 615' ' ' LEU . 3.1 tm? -45.0 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 616' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' C' ' 614' ' ' ASP . 57.4 m-20 -77.78 -27.46 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 617' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' C' ' 614' ' ' ASP . 75.7 mm-40 -81.53 -49.87 10.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 618' ' ' VAL . . . . . 0.694 ' O ' ' CD2' ' C' ' 621' ' ' TYR . 1.4 m -62.86 -28.34 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -66.23 -21.87 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 620' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 34.3 t70 -75.38 -45.46 39.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 621' ' ' TYR . . . . . 0.882 ' CD1' ' N ' ' C' ' 622' ' ' VAL . 0.1 OUTLIER -60.91 -59.15 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 622' ' ' VAL . . . . . 0.882 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.4 p -57.75 -27.92 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 623' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.66 -16.76 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -64.76 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.38 0.1 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.4 mt-10 34.2 95.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.584 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.96 62.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 628' ' ' VAL . . . . . 0.534 ' CG2' ' OH ' ' C' ' 621' ' ' TYR . 1.9 t -121.98 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -173.06 5.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -78.99 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.538 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 25.7 p -82.08 87.61 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.0 tp -31.24 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -71.7 -76.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.75 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 635' ' ' GLY . . . . . 0.5 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.79 0.18 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 636' ' ' ARG . . . . . 0.576 ' NH2' ' OG1' ' A' ' 253' ' ' THR . 91.5 mtt180 -127.97 164.89 21.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.494 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 637' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.1 OUTLIER -108.4 156.98 37.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.614 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 638' ' ' PRO . . . . . 0.423 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 58.2 Cg_endo -73.59 24.98 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.849 2.366 . . . . 0.0 112.158 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 639' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.72 -16.31 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 640' ' ' HIS . . . . . 0.664 ' HE2' ' HZ2' ' B' ' 442' ' ' LYS . 77.5 t60 -75.2 -43.85 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.7 -36.01 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.87 -44.99 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.44 62.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 5.0 t70 -60.7 -35.65 76.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 645' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 28.0 t -160.82 65.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.621 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.13 4.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 647' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' C' ' 648' ' ' LEU . 24.7 mt-30 51.62 4.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.57 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 648' ' ' LEU . . . . . 0.615 ' H ' ' C ' ' C' ' 646' ' ' GLY . 0.2 OUTLIER 71.55 6.95 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 649' ' ' GLU . . . . . 0.411 ' CD ' HE21 ' C' ' 647' ' ' GLN . 8.4 pt-20 -115.68 -12.68 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 650' ' ' ILE . . . . . 0.458 HG21 HD11 ' C' ' 650' ' ' ILE . 1.0 OUTLIER -87.44 -36.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 1.038 ' H ' ' CD1' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 652' ' ' GLU . . . . . 1.029 ' H ' HD21 ' C' ' 651' ' ' LEU . 18.4 pt-20 -56.15 -22.62 29.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 653' ' ' PHE . . . . . 0.986 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.0 t80 -75.84 -97.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 654' ' ' LEU . . . . . 0.537 ' H ' ' CD2' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.44 6.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 655' ' ' LEU . . . . . 0.986 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.5 tt -102.95 -47.93 4.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.21 -25.38 63.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.57 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -72.8 -90.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 658' ' ' GLY . . . . . . . . . . . . . . . -65.32 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 659' ' ' ALA . . . . . 0.746 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.11 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 660' ' ' ASP . . . . . 0.476 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.4 10.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 661' ' ' ILE . . . . . 0.746 ' H ' ' C ' ' C' ' 659' ' ' ALA . 11.7 pt -66.08 1.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.496 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 662' ' ' ASN . . . . . 1.053 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.72 -18.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.66 0.28 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 664' ' ' PRO . . . . . 1.053 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.4 Cg_exo -46.97 120.85 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.828 2.352 . . . . 0.0 112.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -125.91 -50.48 1.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -78.86 -16.08 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 667' ' ' HIS . . . . . 0.5 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.56 -6.23 57.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 668' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' C' ' 668' ' ' HIS . 86.5 t60 40.49 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 6.0 tt -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.19 168.67 10.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 671' ' ' PRO . . . . . 0.498 ' O ' ' HB2' ' C' ' 674' ' ' SER . 49.5 Cg_endo -72.46 -30.48 12.36 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.828 2.352 . . . . 0.0 112.132 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 7.5 tt -45.34 -49.1 13.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 673' ' ' LEU . . . . . 0.609 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 44.6 mt -67.82 -27.85 67.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 674' ' ' SER . . . . . 0.498 ' HB2' ' O ' ' C' ' 671' ' ' PRO . 23.8 m -51.75 -40.9 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 675' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.0 61.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 676' ' ' VAL . . . . . 0.609 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.1 t -47.14 -66.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.512 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.8 39.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 678' ' ' GLU . . . . . 0.452 ' OE2' ' OG ' ' B' ' 441' ' ' SER . 31.3 tp10 -124.51 -28.64 3.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.28 -11.31 72.43 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 680' ' ' HIS . . . . . 0.915 ' C ' ' H ' ' C' ' 682' ' ' SER . 17.8 m80 -72.01 -53.46 12.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.23 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 682' ' ' SER . . . . . 0.915 ' H ' ' C ' ' C' ' 680' ' ' HIS . 78.1 p -67.5 -24.25 65.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 683' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 1.0 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 684' ' ' VAL . . . . . . . . . . . . . 64.2 t -41.91 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 685' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' C' ' 687' ' ' LEU . 19.8 tptp -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.93 1.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 687' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.5 tt -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 7.1 tt -45.68 -21.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 689' ' ' SER . . . . . 0.426 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.6 t -55.75 -21.56 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -99.68 -6.26 27.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 691' ' ' GLY . . . . . 1.092 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 692' ' ' ALA . . . . . 0.577 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.16 18.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 693' ' ' ASP . . . . . 1.092 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.7 OUTLIER 33.13 -128.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -152.47 -23.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 38.0 m -156.53 73.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.552 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.5 -29.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -140.18 23.57 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.77 20.32 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 699' ' ' PRO . . . . . 0.636 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 89.3 Cg_exo -44.8 -27.76 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 0.0 112.11 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 700' ' ' ASP . . . . . 0.636 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 21.7 t70 157.72 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.37 89.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 702' ' ' LEU . . . . . 0.628 ' O ' ' C ' ' C' ' 703' ' ' THR . 8.3 mp -53.9 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 703' ' ' THR . . . . . 0.628 ' C ' ' O ' ' C' ' 702' ' ' LEU . 91.0 m 16.15 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 704' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' C' ' 707' ' ' ALA . . . -106.67 -18.65 13.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 705' ' ' LEU . . . . . 0.571 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 0.3 OUTLIER -62.83 -75.51 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 706' ' ' GLU . . . . . 0.545 ' HB3' ' HG ' ' C' ' 702' ' ' LEU . 3.5 tt0 -80.67 15.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 707' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' C' ' 703' ' ' THR . . . -83.43 -70.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 708' ' ' THR . . . . . 0.513 ' CG2' ' H ' ' C' ' 709' ' ' ASP . 1.7 m -139.79 -142.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 709' ' ' ASP . . . . . 0.513 ' H ' ' CG2' ' C' ' 708' ' ' THR . 78.4 m-20 -148.82 -4.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -72.57 151.84 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.55 -20.52 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.17 -60.41 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.666 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.02 -37.67 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -52.04 -29.93 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 716' ' ' LEU . . . . . 1.073 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.03 98.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 717' ' ' LEU . . . . . 1.073 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.2 mp 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 718' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.615 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.1 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -45.98 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -64.89 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.45 -39.35 87.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.58 -40.93 84.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 13' ' ' LYS . 9.1 mtmp? -63.69 -35.92 82.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -65.23 -43.79 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -61.53 -39.73 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -47.38 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.567 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.7 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.89 -41.34 91.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.16 -44.85 87.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 21' ' ' ILE . 96.7 mt -66.65 -46.48 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.57 ' HG1' ' HD1' ' A' ' 23' ' ' HIS . 74.0 p -76.01 8.44 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.57 ' HD1' ' HG1' ' A' ' 22' ' ' THR . 2.2 m80 -123.69 15.28 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.93 81.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.9 Cg_endo -68.16 167.54 21.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.808 2.338 . . . . 0.0 112.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -70.94 116.25 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.692 2.261 . . . . 0.0 112.108 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.15 21.44 35.54 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' OE2' ' NE ' ' B' ' 315' ' ' ARG . 52.1 mt-10 -149.3 37.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -73.85 -48.89 27.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -57.06 -57.39 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -44.5 -54.46 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.78 -42.53 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.15 -50.88 72.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.04 -37.93 81.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.684 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.08 -42.07 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.06 -41.83 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.595 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.434 ' HE ' ' CD2' ' A' ' 46' ' ' LEU . 42.3 ttm180 -56.4 -54.85 40.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.28 -34.77 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -73.17 -49.8 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.71 -32.6 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.588 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.464 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.58 49.71 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.9 m-20 -168.63 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.656 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -51.86 -37.87 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -54.2 -44.15 71.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.32 -30.81 54.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 ' CD2' ' HE ' ' A' ' 37' ' ' ARG . 36.9 tp -62.81 -38.64 91.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -40.92 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.581 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.91 48.65 0.92 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.13 -56.72 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.612 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.57 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -54.23 -37.08 64.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.36 12.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.458 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.55 -56.65 5.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 55' ' ' ALA . 59.4 tt0 -33.58 -45.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.02 -72.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -46.98 -30.96 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.611 ' SD ' ' N ' ' A' ' 60' ' ' ASP . 12.7 tmm? -68.84 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 57.8 m-20 -67.94 10.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 98.4 mm-40 -124.53 24.78 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.91 44.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 20.7 m -58.85 111.32 3.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.599 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.69 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.873 2.382 . . . . 0.0 112.208 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.44 165.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -125.21 103.93 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.66 ' O ' ' C ' ' A' ' 68' ' ' GLU . 1.6 mp -51.5 148.3 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.66 ' C ' ' O ' ' A' ' 67' ' ' ILE . 81.8 tt0 -13.28 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.44 75.1 0.32 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.798 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -137.48 14.84 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.619 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 62.1 t0 20.15 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 1.061 ' O ' ' N ' ' A' ' 74' ' ' VAL . 46.7 p-10 -98.82 19.43 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 23.6 mt-30 -0.23 50.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.487 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.061 ' N ' ' O ' ' A' ' 72' ' ' ASP . 10.3 p -63.93 173.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.713 HD21 ' N ' ' A' ' 75' ' ' LEU . 2.4 mm? -113.4 152.29 30.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.505 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG21 HD12 ' A' ' 76' ' ' ILE . 28.2 mm -104.05 105.5 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.5 p -130.15 -176.88 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -78.87 -31.24 45.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.562 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.0 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.23 15.7 50.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.51 100.08 11.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.77 0.319 . . . . 0.0 110.596 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.8 tp -49.67 -51.53 37.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -116.06 1.21 13.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.77 9.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -108.34 168.72 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 55.0 m-85 -114.51 -170.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.3 tp -118.33 157.39 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.682 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 5.7 t0 -139.35 89.05 12.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.569 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 24.2 Cg_exo -61.04 -36.63 81.35 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.847 2.364 . . . . 0.0 111.992 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -59.48 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.461 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.689 HD21 ' N ' ' A' ' 92' ' ' ASN . 0.6 OUTLIER -76.44 -20.33 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.581 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.682 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 28.3 ttmt 62.75 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.515 ' CD1' ' CD2' ' A' ' 70' ' ' TYR . 21.7 pt -146.52 154.42 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.807 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.7 m -92.65 133.02 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.588 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.722 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 24.0 p90 -140.14 136.62 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 88.4 tttt -88.69 113.42 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.61 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.856 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 46.9 t80 -82.65 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.562 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.672 ' H ' ' HB1' ' A' ' 105' ' ' ALA . 32.4 t0 -104.56 90.05 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.36 -67.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.0 tp -47.46 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.3 tpt180 -52.76 156.29 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -88.87 2.31 53.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -117.21 150.26 39.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.856 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.26 79.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 60.5 m -95.57 -164.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.72 54.55 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.556 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.807 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.55 -177.8 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.812 2.341 . . . . 0.0 112.083 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.13 124.6 2.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -47.17 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.885 2.39 . . . . 0.0 112.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 11.1 tm-20 -122.91 102.5 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 49.4 p-10 -75.48 88.43 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.4 t -46.92 164.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.11 -30.02 58.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.649 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.92 35.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.75 -59.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.501 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.81 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 21.3 tp -104.09 3.32 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.52 ' HZ3' ' CA ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.466 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -39.18 -55.96 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.539 ' CD1' HD13 ' A' ' 117' ' ' LEU . 60.5 m95 -62.54 -47.6 83.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.563 ' O ' ' C ' ' A' ' 122' ' ' ASP . 3.0 tmm_? -53.9 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.563 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.4 t0 -25.51 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.489 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.3 m -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.43 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.42 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.543 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 81.2 p -47.99 -46.16 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.33 -51.43 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.83 -12.29 60.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.469 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.543 ' HB3' ' O ' ' A' ' 126' ' ' SER . 44.9 ttm180 -66.37 -32.81 74.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.56 -39.26 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -54.73 -38.81 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' A' ' 134' ' ' ASP . 99.2 t -74.79 -40.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.475 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.4 mttt -76.16 25.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.3 m-20 -147.58 7.63 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.595 ' OH ' ' CE2' ' A' ' 173' ' ' TRP . 85.0 m-85 -114.63 106.45 52.22 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.58 -57.24 2.3 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.829 2.352 . . . . 0.0 112.031 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.62 12.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.536 ' CZ ' ' OE1' ' A' ' 73' ' ' GLN . 61.7 m-85 -135.1 158.13 45.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.338 . . . . 0.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.36 28.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.2 m -161.46 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 90' ' ' PRO . 41.5 t -75.73 143.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 43.3 m-85 -120.2 124.34 45.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.59 0.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -123.79 167.41 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.537 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 47.2 t -107.64 115.41 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 148' ' ' ILE . 1.2 tp -91.13 104.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 46.68 54.19 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.18 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.77 129.79 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.639 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 181' ' ' ILE . 8.7 mt-30 -85.76 150.51 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.472 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.94 ' OG1' ' HA ' ' A' ' 180' ' ' THR . 99.4 m -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . 0.557 ' N ' HG22 ' A' ' 153' ' ' THR . 15.6 mm -108.49 109.98 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.436 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.567 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 3.2 mp -98.08 117.05 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.88 116.08 27.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.209 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.0 m -106.14 135.43 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 4.9 mp -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.542 ' OE2' ' ND1' ' A' ' 161' ' ' HIS . 14.7 tm-20 -131.3 151.91 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.727 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.0 OUTLIER -170.94 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.186 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 8.0 p-80 -140.65 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.972 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.4 mm-40 -148.62 77.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.223 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -65.35 147.43 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.58 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 30.4 tp60 -167.93 66.08 0.74 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.349 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.2 Cg_exo -60.69 -52.09 4.18 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.803 2.335 . . . . 0.0 112.139 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . 0.687 ' N ' ' O ' ' A' ' 165' ' ' PRO . 58.0 t-20 -121.96 -10.48 8.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.832 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 44.1 m-85 70.11 80.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.832 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 9.3 p-90 158.81 127.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -136.02 162.39 33.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 0.1 OUTLIER -165.7 136.65 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.353 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' TRP . . . . . 0.727 ' N ' ' O ' ' A' ' 160' ' ' SER . 3.4 t-105 -107.6 138.92 42.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 193' ' ' LYS . 39.5 ttt180 -125.41 152.26 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.165 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' SER . . . . . 0.523 ' HG ' ' HE1' ' A' ' 177' ' ' TRP . 0.3 OUTLIER -166.3 111.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.015 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.702 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 80.9 tt0 -116.41 124.68 50.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.119 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . 0.539 ' HA ' ' CB ' ' A' ' 190' ' ' ALA . 24.4 m95 -120.59 116.91 26.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.902 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -98.6 119.79 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.416 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.723 ' O ' ' HA ' ' A' ' 153' ' ' THR . 56.9 t80 -117.49 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.744 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.94 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.9 t -50.09 -131.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.577 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' ILE . . . . . 0.692 ' O ' ' OG1' ' A' ' 182' ' ' THR . 9.9 tp -164.35 151.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.919 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.46 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.427 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 1.021 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 95.9 Cg_exo -34.32 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 123.434 2.756 . . . . 0.0 112.713 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . 0.919 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.9 Cg_endo -79.84 -4.34 13.33 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.805 2.336 . . . . 0.0 112.089 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' THR . . . . . 1.031 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.261 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 1.103 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.84 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.961 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 1.032 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 85.5 mt-30 -106.76 -115.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.217 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.767 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 2.1 t 145.67 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.79 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.447 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.813 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.437 ' CG2' ' OD1' ' A' ' 211' ' ' ASP . 3.7 p -165.73 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.501 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' LEU . . . . . 0.69 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 3.2 mp -85.57 157.82 20.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' LYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 174' ' ' ARG . 27.8 mttt -150.36 147.86 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 5.7 mt -149.49 134.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . 0.628 ' NE2' ' NE2' ' A' ' 205' ' ' GLN . 57.0 tt0 -142.33 130.24 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.706 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 70.6 t -132.67 136.61 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.157 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . 0.768 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 73.3 t60 -126.49 141.56 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 53.7 t80 -145.56 87.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.06 87.77 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 60.7 tt0 -129.47 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 87.6 m-20 114.78 2.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.7 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 203' ' ' ASN . 0.8 OUTLIER -172.84 99.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.636 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.0 129.19 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.526 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' GLN . . . . . 0.706 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.7 tt0 -136.77 154.15 50.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . 0.412 ' C ' ' CD2' ' A' ' 206' ' ' LEU . 4.7 tt -122.34 87.26 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.676 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' VAL . . . . . 0.486 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 11.2 t -90.14 122.27 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 22.9 t -149.59 147.2 27.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -157.81 145.1 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.215 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -135.44 129.06 32.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 110.926 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' ASP . . . . . 0.437 ' OD1' ' CG2' ' A' ' 191' ' ' VAL . 63.4 m-20 -103.62 129.83 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.215 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.86 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.923 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.366 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' ASP . . . . . 0.62 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 93.0 m-20 -118.8 166.05 13.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.718 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' SER . . . . . 1.032 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 94.8 p -117.82 103.35 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' VAL . . . . . 1.103 ' O ' ' O ' ' A' ' 186' ' ' ALA . 97.9 t -91.9 166.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.677 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' GLN . . . . . 1.031 ' HA ' ' O ' ' A' ' 185' ' ' THR . 0.0 OUTLIER -102.65 128.06 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.618 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' VAL . . . . . 1.021 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 83.2 t -85.99 137.51 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.1 t -131.08 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 -163.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -86.8 -62.64 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.08 -24.75 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -73.91 -56.77 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 96.4 m -54.66 -36.84 65.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.09 14.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -57.06 -30.56 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.6 -38.77 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 10.6 t80 -67.72 -53.95 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.409 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' ILE . . . . . 0.628 ' O ' HG12 ' A' ' 232' ' ' ILE . 1.7 mp -52.11 -27.35 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.409 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -74.85 -36.69 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 231' ' ' ILE . . . . . 0.455 HG22 HD12 ' A' ' 231' ' ' ILE . 32.2 mm -67.55 -41.19 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.442 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 232' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 229' ' ' ILE . 7.7 pt -70.14 -44.46 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.377 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 236' ' ' GLU . 81.7 tt0 -57.05 -47.03 81.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.466 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -69.62 -43.88 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.428 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 236' ' ' GLU . . . . . 0.578 ' OE2' ' ND2' ' A' ' 237' ' ' ASN . 1.1 pp20? -60.25 -44.12 95.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.404 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 237' ' ' ASN . . . . . 0.578 ' ND2' ' OE2' ' A' ' 236' ' ' GLU . 9.7 m120 -60.07 -40.14 88.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.427 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -69.83 -34.33 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -68.5 -44.37 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -68.22 -39.0 82.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 241' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 20.0 m -61.38 -45.79 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.65 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 40.9 mt -69.19 -47.55 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.67 -34.2 73.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -66.95 -42.9 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 246' ' ' ASN . . . . . 0.42 ' O ' ' SD ' ' A' ' 250' ' ' MET . 98.3 m-20 -62.12 -34.62 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.512 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 247' ' ' TYR . . . . . 0.467 ' OH ' ' OG1' ' B' ' 536' ' ' THR . 0.5 OUTLIER -64.92 -31.87 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -73.25 -50.87 19.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 249' ' ' THR . . . . . 0.541 ' O ' ' HB ' ' A' ' 253' ' ' THR . 24.3 m -64.79 -34.84 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 250' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 31.2 mtp -72.83 -14.56 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.0 p -112.95 -10.09 13.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 252' ' ' ASP . . . . . 0.697 ' O ' ' OG1' ' A' ' 253' ' ' THR . 67.3 t0 -132.12 47.76 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.567 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 253' ' ' THR . . . . . 0.697 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 17.5 m 175.76 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 254' ' ' THR . . . . . 0.462 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 12.1 m -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -47.68 -57.47 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -64.27 -11.71 34.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.27 30.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -77.98 -91.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 259' ' ' ARG . . . . . 0.446 ' CD ' ' CH2' ' B' ' 448' ' ' TRP . 16.5 ptm180 -98.58 174.44 6.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.464 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 260' ' ' ARG . . . . . 0.566 ' NH1' ' OE1' ' C' ' 633' ' ' GLU . 27.0 mmt180 -109.16 153.19 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -83.69 -11.28 57.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.58 133.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.525 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 263' ' ' PRO . . . . . 0.718 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.1 Cg_exo -43.99 135.36 7.95 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.934 2.423 . . . . 0.0 112.059 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 264' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 263' ' ' PRO . 6.3 m -37.72 -38.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 67.1 p -64.25 -5.39 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 63.3 ttt180 54.06 55.61 8.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.547 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.26 114.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.3 mttt -16.76 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 269' ' ' ILE . . . . . 0.421 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 10.8 tt -50.25 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.4 OUTLIER -117.15 58.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.521 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 271' ' ' TRP . . . . . 0.603 ' O ' ' N ' ' A' ' 274' ' ' ILE . 83.0 m95 -21.45 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.8 t-20 -44.59 -25.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . 1.223 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 63.3 mttp -99.95 -7.68 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 274' ' ' ILE . . . . . 0.603 ' N ' ' O ' ' A' ' 271' ' ' TRP . 2.0 mp -103.22 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.06 44.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.569 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 276' ' ' SER . . . . . 1.296 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.6 m 141.93 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 1.223 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.4 t80 -31.01 43.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 278' ' ' LYS . . . . . 1.296 ' N ' ' O ' ' A' ' 276' ' ' SER . 88.7 tttt -107.7 80.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 1.8 pt 54.23 3.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.48 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 302' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 10.7 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -42.72 -51.22 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -55.34 -34.15 63.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.474 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 305' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' B' ' 302' ' ' SER . 95.7 mt-30 -60.71 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.23 -40.62 77.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.84 95.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.35 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.2 m -68.08 -37.11 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.2 96.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.296 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.31 -38.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.365 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.31 -33.69 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.379 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 64.0 tp -68.75 -43.76 75.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.377 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 69.4 mmm -64.39 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -82.3 -12.4 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.398 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 315' ' ' ARG . . . . . 0.588 HH11 ' HG2' ' B' ' 315' ' ' ARG . 5.7 mmt-85 -100.08 -46.84 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.522 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.63 147.75 95.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.69 128.4 21.14 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.827 2.352 . . . . 0.0 112.022 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.41 -4.1 14.31 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.88 2.387 . . . . 0.0 112.097 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -80.49 -17.89 50.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -123.88 39.49 3.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.43 -40.84 90.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.67 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.574 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.6 -54.45 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.49 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -54.61 -55.78 25.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.502 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 41.3 tp -47.18 -48.96 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.409 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.2 t -57.12 -49.63 75.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -62.38 -40.77 97.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 60.8 tp -55.5 -41.03 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.511 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' ILE . . . . . 0.432 HD13 HG23 ' B' ' 329' ' ' ILE . 96.7 mt -65.47 -41.19 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.79 -37.9 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.448 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 11.2 mt -71.24 -29.09 64.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.53 84.59 9.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.12 -5.56 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.733 2.289 . . . . 0.0 112.059 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.36 -6.44 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.465 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 75.3 mt -119.03 20.89 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.614 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 28.2 p -64.06 -55.95 18.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.596 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 80.7 tt0 -60.34 -50.47 73.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.66 -36.21 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . 0.465 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 76.2 mt -79.07 -28.61 43.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 35.0 mt -81.49 12.42 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 57.0 p -144.13 -3.64 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 50.9 p -119.37 -15.55 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.85 120.08 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.84 128.66 35.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.502 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.34 165.91 29.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.4 125.25 5.8 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.869 2.379 . . . . 0.0 112.101 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.71 122.49 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.675 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' LYS . . . . . 0.621 ' O ' HD11 ' B' ' 361' ' ' LEU . 29.2 mmtp -88.65 148.84 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.6 tt -102.98 136.39 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.702 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' ALA . . . . . 0.721 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.66 157.67 33.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.466 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -114.37 143.35 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 29.2 t0 -111.9 81.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.7 mttp -37.27 -63.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.594 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' VAL . . . . . 0.488 HG21 ' H ' ' B' ' 355' ' ' VAL . 0.1 OUTLIER -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 355' ' ' VAL . . . . . 0.488 ' H ' HG21 ' B' ' 354' ' ' VAL . 8.8 t -92.97 -25.48 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.626 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.72 70.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 69.8 mmtt -115.1 154.84 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 358' ' ' ASP . . . . . 0.721 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.6 m-20 -94.75 143.08 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . 0.702 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 47.5 p90 -139.68 135.72 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.15 156.66 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . 0.621 HD11 ' O ' ' B' ' 348' ' ' LYS . 5.4 mp -108.58 158.53 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 362' ' ' CYS . . . . . . . . . . . . . 21.4 p -168.2 168.68 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 6.0 p-10 -75.49 -10.33 59.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.443 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 365' ' ' ASN . . . . . 0.507 ' HB3' ' CD2' ' B' ' 420' ' ' TYR . 5.4 p-10 -123.19 24.71 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -119.9 129.85 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -122.16 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.83 1.76 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 369' ' ' ASP . 54.6 t0 -126.2 8.67 7.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.592 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 370' ' ' SER . . . . . 0.985 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 16.0 p -122.37 161.36 23.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 371' ' ' TYR . . . . . 1.117 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 55.5 m-85 -118.34 150.8 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . 0.61 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 1.8 ttt180 -98.75 124.72 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 373' ' ' SER . . . . . 0.575 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 62.8 p -79.6 133.78 58.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 374' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.2 Cg_endo -75.93 -14.73 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.799 2.332 . . . . 0.0 112.208 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -85.9 -66.29 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.1 p -83.14 -18.59 38.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 377' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' B' ' 373' ' ' SER . 5.3 m120 70.24 40.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -141.52 137.88 32.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 379' ' ' TYR . . . . . 1.117 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 31.7 m-85 -65.75 140.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 380' ' ' ASP . . . . . 0.755 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.98 -60.43 6.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.319 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 381' ' ' PRO . . . . . 0.985 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.43 120.07 7.21 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.984 2.456 . . . . 0.0 112.277 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -41.58 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.48 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.535 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -117.02 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.16 151.71 47.44 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 387' ' ' ALA . . . . . 0.563 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.94 127.26 30.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -132.27 148.62 70.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 389' ' ' PRO . . . . . 0.415 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.3 Cg_endo -73.01 150.78 49.16 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.769 2.313 . . . . 0.0 112.106 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 47.3 t -52.74 142.9 17.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.55 -43.82 5.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.86 -37.82 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.91 -42.44 69.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -55.32 -36.83 66.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.54 -46.57 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.4 -31.97 73.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -67.82 -38.0 82.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.04 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.73 -36.97 79.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.343 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.9 94.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.96 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.15 -40.42 68.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.37 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.95 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -69.36 -29.23 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.41 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 405' ' ' ASP . . . . . 0.436 ' CG ' HH21 ' B' ' 408' ' ' ARG . 64.0 t0 -54.67 -38.78 67.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.446 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -77.08 -32.87 57.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 407' ' ' TYR . . . . . 0.44 ' OH ' ' OE1' ' B' ' 521' ' ' GLU . 53.3 t80 -69.76 -18.63 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.481 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 408' ' ' ARG . . . . . 0.557 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.86 -35.5 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 409' ' ' ASP . . . . . 0.534 ' CB ' ' HZ1' ' C' ' 604' ' ' LYS . 13.9 m-20 -85.18 -8.92 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.525 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 410' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.9 mt -95.87 -17.89 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 411' ' ' TYR . . . . . 0.718 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.539 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.556 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 9.7 m-85 -100.59 -25.96 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.521 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 413' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.7 mt-10 63.54 24.34 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 414' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' B' ' 408' ' ' ARG . . . 162.72 -154.44 25.4 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.41 -163.45 52.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 416' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' B' ' 435' ' ' LYS . 13.2 m -128.74 153.7 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 417' ' ' SER . . . . . 0.557 ' N ' HH12 ' B' ' 408' ' ' ARG . 92.7 p -143.59 148.52 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 418' ' ' SER . . . . . 0.597 ' OG ' ' OH ' ' B' ' 420' ' ' TYR . 3.7 t -148.24 143.92 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.77 130.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.597 ' OH ' ' OG ' ' B' ' 418' ' ' SER . 0.8 OUTLIER -128.51 132.45 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.332 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.65 158.4 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -154.49 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.499 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -43.03 159.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 424' ' ' LEU . . . . . 0.453 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 56.5 mt -127.8 -147.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.609 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 425' ' ' ASP . . . . . 0.453 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 29.9 m-20 -87.36 -49.76 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.81 30.65 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.66 2.57 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -170.71 154.15 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -124.03 172.8 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.552 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 430' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.11 161.74 35.07 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 431' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 83.1 t -130.09 126.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 432' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.36 113.66 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' B' ' 450' ' ' SER . 65.4 mt -102.87 143.19 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 434' ' ' ILE . . . . . 0.462 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.74 119.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.614 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 435' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' B' ' 416' ' ' VAL . 46.8 tttp -122.51 127.49 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 436' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.1 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.17 40.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.77 128.1 19.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.548 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.65 9.73 76.08 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 90.3 p -110.32 -4.33 15.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . 0.6 ' HZ2' ' CG ' ' C' ' 644' ' ' ASP . 31.4 mmtt -89.14 153.85 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.91 -43.79 81.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 57.5 mt -95.12 135.96 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -105.78 154.71 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.41 24.52 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 5.2 t -149.46 130.67 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 448' ' ' TRP . . . . . 0.497 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 8.5 t-105 -114.79 116.18 28.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.44 127.18 54.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 450' ' ' SER . . . . . 0.462 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.9 122.76 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 451' ' ' ILE . . . . . 0.406 HD13 HG23 ' B' ' 451' ' ' ILE . 87.0 mt -127.89 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.287 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 452' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 8.3 m80 -108.64 132.37 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.875 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.67 95.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.268 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -131.83 102.15 5.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.311 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 58.2 t -79.05 139.65 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -123.48 68.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 458' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' B' ' 509' ' ' HIS . 80.5 mm-40 -40.29 146.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 459' ' ' LYS . . . . . 0.594 ' CG ' ' O ' ' B' ' 464' ' ' THR . 35.3 mmtm -109.33 141.91 41.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.97 -54.11 16.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 34.4 p -126.72 146.52 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 462' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.7 48.15 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 463' ' ' ARG . . . . . 0.652 ' CG ' HH11 ' B' ' 463' ' ' ARG . 0.0 OUTLIER 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.584 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 464' ' ' THR . . . . . 0.594 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.25 123.66 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.454 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.75 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -92.91 126.54 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.333 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -103.17 139.46 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.968 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -135.85 86.14 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.191 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 469' ' ' LEU . . . . . 0.654 HD12 ' H ' ' B' ' 470' ' ' THR . 55.3 tp -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 470' ' ' THR . . . . . 0.654 ' H ' HD12 ' B' ' 469' ' ' LEU . 17.2 m -157.87 62.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.084 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 471' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 25.4 p -64.62 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.09 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 472' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 471' ' ' SER . 52.7 m -168.81 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.128 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 473' ' ' VAL . . . . . 0.538 ' O ' ' OG ' ' B' ' 492' ' ' SER . 98.2 t -69.72 143.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 474' ' ' MET . . . . . 0.574 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 3.0 ttt -124.78 95.99 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.191 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 475' ' ' LEU . . . . . 0.528 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 47.0 tp -86.68 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.258 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.34 124.67 21.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.747 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 478' ' ' GLN . . . . . 0.669 ' CD ' ' H ' ' B' ' 479' ' ' THR . 41.8 tp60 -138.17 158.08 45.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.472 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 479' ' ' THR . . . . . 0.669 ' H ' ' CD ' ' B' ' 478' ' ' GLN . 21.9 m -163.4 127.44 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.655 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 480' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.16 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttp -107.64 146.65 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.2 68.72 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 484' ' ' SER . . . . . 0.451 ' O ' ' N ' ' B' ' 486' ' ' THR . 37.6 p -125.96 14.86 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.525 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 486' ' ' THR . . . . . 0.451 ' N ' ' O ' ' B' ' 484' ' ' SER . 11.7 p -126.06 114.02 17.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 487' ' ' MET . . . . . 0.444 ' O ' ' OE1' ' B' ' 478' ' ' GLN . 27.2 ttt -125.12 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.551 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 488' ' ' ASN . . . . . 0.667 ' ND2' ' N ' ' B' ' 488' ' ' ASN . 0.0 OUTLIER -119.06 123.98 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 489' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.4 tp -131.68 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.38 -163.86 21.82 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 491' ' ' GLY . . . . . 0.538 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.86 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 492' ' ' SER . . . . . 0.574 ' HB2' ' HA ' ' B' ' 474' ' ' MET . 23.4 t 163.22 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.487 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.57 149.44 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 494' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' B' ' 495' ' ' ARG . 55.5 m -127.11 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 495' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.6 mmt180 -149.96 128.74 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 496' ' ' GLN . . . . . 0.559 ' CD ' ' H ' ' B' ' 496' ' ' GLN . 1.0 OUTLIER -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.3 ttm -160.06 130.43 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.65 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -133.52 141.6 47.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -172.24 145.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 500' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.8 p-10 -91.29 125.19 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -120.67 160.17 23.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 52.2 m -94.3 131.86 39.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.57 122.4 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.4 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.88 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.0 p -83.68 -19.75 34.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 39.9 t -135.56 73.43 62.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.61 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.166 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 509' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' B' ' 458' ' ' GLU . 57.0 m80 -58.69 -62.8 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.65 -49.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.23 71.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -62.98 -48.21 79.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.03 -33.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.61 74.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -57.33 -44.33 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.714 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.23 -52.52 61.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.43 -47.21 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.89 -51.69 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.769 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 519' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.6 t0 -63.54 -37.48 87.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.762 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 33.1 tpp -64.43 -49.37 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 521' ' ' GLU . . . . . 0.44 ' OE1' ' OH ' ' B' ' 407' ' ' TYR . 94.3 mt-10 -62.59 -45.29 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.89 -41.46 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -70.59 -38.49 74.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.776 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 524' ' ' ILE . . . . . 0.474 HG21 HD12 ' B' ' 524' ' ' ILE . 27.4 mm -74.44 -24.35 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 525' ' ' ARG . . . . . 0.619 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.68 -27.66 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.701 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 526' ' ' SER . . . . . 0.544 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.1 t -85.04 -38.71 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.713 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 61.8 p -66.07 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 528' ' ' LEU . . . . . 0.667 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 4.1 mp -64.97 -42.38 94.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -68.56 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 530' ' ' GLU . . . . . 0.977 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.32 -54.45 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.652 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.48 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 532' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 20.9 m-85 -50.29 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.79 40.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . 0.977 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 535' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' B' ' 536' ' ' THR . 17.8 mtpt -56.91 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.514 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.642 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 42.4 p -34.72 -58.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.34 -53.32 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -53.16 -44.91 68.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.8 -36.03 71.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.44 -42.0 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.78 -17.1 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.32 48.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . 0.438 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.11 -51.46 46.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 544' ' ' ARG . . . . . 0.545 ' NH1' ' CZ3' ' A' ' 173' ' ' TRP . 32.9 ptt180 -141.79 170.09 16.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 545' ' ' SER . . . . . . . . . . . . . 35.5 t -142.17 137.88 31.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 13.5 tt -69.1 -43.51 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.9 138.61 33.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 548' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.48 122.08 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 551' ' ' ASP . 80.5 mt -79.49 112.78 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.5 Cg_exo -46.66 80.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 50.1 p-10 -25.32 145.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.635 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -129.86 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.27 -24.78 27.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' B' ' 558' ' ' LEU . 5.5 ttpm? -52.54 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -45.24 -56.64 4.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -46.94 83.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.706 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 557' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' B' ' 557' ' ' GLN . 15.6 tm0? -65.84 -29.62 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.2 tp -77.78 -30.4 51.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.55 -36.32 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -58.24 -40.54 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 561' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -67.83 -61.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.706 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . 0.868 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 49.3 tp -49.09 -40.71 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.7 m -61.19 -76.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.761 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' B' ' 564' ' ' GLN . 1.3 tm0? -36.71 -13.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.724 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.868 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.1 t -72.07 -42.68 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' B' ' 563' ' ' SER . 43.1 mt -81.46 -35.57 30.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.1 p -70.3 -19.62 63.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -117.55 6.66 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 569' ' ' ARG . . . . . 0.81 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 570' ' ' GLN . . . . . 0.859 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 8.6 pt20 139.73 128.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.682 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 571' ' ' ILE . . . . . 0.859 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 57.1 mt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 601' ' ' MET . . . . . 0.506 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.2 m 62.15 5.96 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.515 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -49.81 -37.84 32.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 604' ' ' LYS . . . . . 0.534 ' HZ1' ' CB ' ' B' ' 409' ' ' ASP . 57.6 mttt -69.64 -52.22 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.1 -28.91 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -75.67 -53.64 8.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 607' ' ' MET . . . . . . . . . . . . . 38.4 ttp -72.87 -36.74 67.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 608' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' C' ' 604' ' ' LYS . 76.7 t-105 -56.81 -16.0 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 609' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.61 13.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.3 2.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 611' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' C' ' 609' ' ' ALA . 63.5 tttp -102.06 -66.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.35 -4.31 21.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 613' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.03 21.93 58.31 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 614' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' C' ' 617' ' ' GLU . 11.1 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 615' ' ' LEU . . . . . 0.778 ' O ' HD23 ' C' ' 615' ' ' LEU . 2.6 tm? -44.98 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 616' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.7 m-20 -77.74 -27.52 50.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.527 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 617' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' C' ' 614' ' ' ASP . 53.1 tp10 -81.49 -49.86 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 12.0 p -62.9 -28.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -66.29 -21.83 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 620' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 65.0 t0 -75.34 -45.4 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.94 -59.22 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.71 -27.88 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 623' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.67 -16.79 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.603 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 625' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.36 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 626' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' C' ' 625' ' ' GLY . 6.5 pt-20 34.26 95.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 627' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 89.2 m-20 -140.98 62.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 628' ' ' VAL . . . . . 0.652 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.3 t -121.93 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -173.02 5.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.668 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 630' ' ' ARG . . . . . 0.431 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.8 mtt-85 -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.05 87.66 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.635 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 46.5 tp -31.35 -88.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.566 ' OE1' ' NH1' ' A' ' 260' ' ' ARG . 75.1 tt0 -71.71 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.66 -11.34 0.07 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 635' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.44 22.74 0.18 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -127.93 164.91 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 637' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' C' ' 639' ' ' LEU . 3.4 pttt -108.41 156.99 37.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 638' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' C' ' 637' ' ' LYS . 56.7 Cg_endo -73.68 25.07 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.83 2.354 . . . . 0.0 112.093 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 639' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' C' ' 637' ' ' LYS . 6.3 mp -117.78 -16.29 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.23 -43.86 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -71.73 -36.01 70.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.443 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 642' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.89 -44.97 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.47 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 644' ' ' ASP . . . . . 0.6 ' CG ' ' HZ2' ' B' ' 442' ' ' LYS . 16.7 t0 -60.63 -35.69 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 21.8 p -160.89 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 646' ' ' GLY . . . . . 0.674 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 647' ' ' GLN . . . . . 0.593 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.1 mt-30 51.74 4.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.493 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 648' ' ' LEU . . . . . 0.825 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.57 7.01 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.8 -12.58 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 650' ' ' ILE . . . . . 0.455 HG22 HD11 ' C' ' 650' ' ' ILE . 1.1 mm -87.57 -36.12 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.618 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 1.082 HD23 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.31 -52.95 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 652' ' ' GLU . . . . . 1.082 ' H ' HD23 ' C' ' 651' ' ' LEU . 44.4 tt0 -56.22 -22.58 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 85.3 t80 -75.84 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 654' ' ' LEU . . . . . 0.652 ' O ' HG11 ' C' ' 628' ' ' VAL . 0.6 OUTLIER -41.41 6.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.8 tp -102.91 -47.87 4.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.564 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.31 -25.41 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 657' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' C' ' 658' ' ' GLY . 32.2 tptt -72.75 -90.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 658' ' ' GLY . . . . . 0.436 ' H ' ' HB3' ' C' ' 657' ' ' LYS . . . -65.33 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 659' ' ' ALA . . . . . 0.726 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.03 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.565 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 660' ' ' ASP . . . . . 0.476 ' C ' ' H ' ' C' ' 662' ' ' ASN . 70.2 m-20 -57.4 10.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 661' ' ' ILE . . . . . 0.726 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.3 tt -66.04 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 662' ' ' ASN . . . . . 1.076 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 10.7 t-20 -163.68 -18.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 663' ' ' ALA . . . . . 0.76 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.61 0.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 664' ' ' PRO . . . . . 1.076 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 58.9 Cg_exo -47.0 120.82 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.104 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 665' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.6 p-10 -125.88 -50.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -78.76 -16.19 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 667' ' ' HIS . . . . . 0.527 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 37.8 m80 -80.45 -6.32 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 40.52 37.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 15.7 tt -176.84 147.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.23 168.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 671' ' ' PRO . . . . . 0.525 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.53 -30.49 12.16 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.105 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 10.2 tp -45.37 -49.03 13.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 673' ' ' LEU . . . . . 0.639 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 14.3 mt -67.88 -27.81 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 674' ' ' SER . . . . . 0.525 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.3 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.534 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 675' ' ' ALA . . . . . . . . . . . . . . . -74.57 -29.97 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 676' ' ' VAL . . . . . 0.639 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 4.0 t -47.18 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -77.81 39.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 678' ' ' GLU . . . . . 0.575 ' O ' ' CD ' ' C' ' 678' ' ' GLU . 0.0 OUTLIER -124.47 -28.67 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.3 72.46 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 680' ' ' HIS . . . . . 0.902 ' C ' ' H ' ' C' ' 682' ' ' SER . 6.5 m80 -72.0 -53.47 12.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 681' ' ' VAL . . . . . 0.605 ' O ' HG22 ' C' ' 684' ' ' VAL . 9.4 m 43.27 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 682' ' ' SER . . . . . 0.902 ' H ' ' C ' ' C' ' 680' ' ' HIS . 2.2 m -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 683' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.0 p -90.92 -48.68 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 684' ' ' VAL . . . . . 0.654 ' N ' ' SG ' ' C' ' 683' ' ' CYS . 2.9 m -41.89 -34.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 685' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' C' ' 687' ' ' LEU . 98.7 mttt -62.52 -73.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.94 1.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 687' ' ' LEU . . . . . 0.526 ' H ' ' C ' ' C' ' 685' ' ' LYS . 8.2 tp -81.95 -70.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 10.9 mp -45.64 -21.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 689' ' ' SER . . . . . 0.41 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.7 m -55.73 -21.52 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -99.64 -6.31 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.579 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.5 OUTLIER 33.14 -128.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -152.49 -23.69 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 695' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' C' ' 695' ' ' THR . 9.3 t -156.49 73.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.558 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 696' ' ' VAL . . . . . 0.403 ' CG1' HD22 ' C' ' 662' ' ' ASN . 4.9 t -93.45 -29.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -140.16 23.55 2.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.72 142.75 20.3 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 699' ' ' PRO . . . . . 0.633 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 76.3 Cg_exo -44.77 -27.73 2.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.817 2.345 . . . . 0.0 112.162 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 700' ' ' ASP . . . . . 0.633 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 36.2 t0 157.7 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 701' ' ' GLY . . . . . 0.576 ' H ' ' CG ' ' C' ' 700' ' ' ASP . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.8 tt -53.85 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.577 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 703' ' ' THR . . . . . 0.647 ' C ' ' O ' ' C' ' 702' ' ' LEU . 0.0 OUTLIER 16.16 -95.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 704' ' ' ALA . . . . . 0.525 ' N ' ' OG1' ' C' ' 703' ' ' THR . . . -106.61 -18.66 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 705' ' ' LEU . . . . . 0.56 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.6 tt -62.87 -75.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -80.76 15.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 707' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 708' ' ' THR . . . . . 0.457 ' CG2' ' H ' ' C' ' 709' ' ' ASP . 1.3 m -139.76 -142.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 709' ' ' ASP . . . . . 0.457 ' H ' ' CG2' ' C' ' 708' ' ' THR . 52.8 p30 -148.78 -4.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -72.56 151.84 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -71.56 -20.52 62.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.3 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 713' ' ' ILE . . . . . 0.426 HD11 HG22 ' C' ' 713' ' ' ILE . 0.0 OUTLIER -70.03 -37.72 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.01 -29.94 23.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 716' ' ' LEU . . . . . 1.092 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.06 98.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 717' ' ' LEU . . . . . 1.092 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.5 mm? 124.11 -176.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.595 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 718' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 34.6 tt0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.595 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 11.2 p -54.08 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.759 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.1 t -45.98 163.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.94 -33.56 76.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.49 -39.32 87.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -67.55 -40.97 84.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.574 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -63.77 -35.89 82.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.19 -43.78 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -61.6 -39.66 92.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 16' ' ' ILE . 38.2 mm -65.47 -47.33 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.86 75.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.58 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.6 tttt -65.91 -41.37 91.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -65.14 -44.89 87.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 21' ' ' ILE . 96.9 mt -66.62 -46.52 85.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.578 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 76.0 p -76.02 8.48 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.618 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.578 ' HD1' ' C ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -123.74 15.35 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.93 81.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 17.6 Cg_endo -68.16 167.52 21.71 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.806 2.338 . . . . 0.0 112.054 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.552 ' O ' ' ND2' ' A' ' 170' ' ' ASN . 47.8 Cg_endo -70.91 116.16 4.56 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.755 2.303 . . . . 0.0 112.175 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.12 21.57 35.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 47.8 mp0 -149.34 37.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.803 0.335 . . . . 0.0 110.523 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 51.7 p90 -73.94 -48.86 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 42.0 t30 -57.05 -57.32 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.546 ' OE1' ' NE ' ' B' ' 315' ' ' ARG . 99.0 mt-10 -44.54 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.83 -42.48 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -59.24 -50.81 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.11 -37.89 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.1 -42.07 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.04 -41.88 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -56.32 -54.79 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.34 -34.76 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 mt -73.2 -49.72 26.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.75 -32.63 72.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.0 t30 46.61 49.69 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.6 m-20 -168.6 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -51.89 -37.88 54.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.615 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -54.14 -44.17 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.31 -30.87 54.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.74 -38.68 91.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.608 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -66.25 -35.47 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -41.06 -59.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.09 -56.83 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.607 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.54 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -54.29 -37.05 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.576 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.4 12.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.507 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.55 -56.62 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.56 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' ALA . 67.4 tp60 -33.61 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.567 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -60.02 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -46.97 -30.94 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.711 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -68.88 -66.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.711 ' N ' ' HG3' ' A' ' 59' ' ' MET . 53.9 t0 -67.94 10.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 1.3 tm0? -124.5 24.76 7.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.618 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 51.7 m-85 23.9 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.488 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.0 m -58.78 111.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -75.68 115.17 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.943 2.429 . . . . 0.0 112.212 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 12.5 p -109.38 165.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 13.0 ptpt -125.19 103.99 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 43.9 mt -51.56 148.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 78.1 tt0 -13.24 -78.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.37 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 67.1 m-85 -137.41 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 13.8 p-10 20.17 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 1.068 ' O ' ' N ' ' A' ' 74' ' ' VAL . 55.2 t0 -98.76 19.37 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 12.6 mm100 -0.24 50.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.068 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.8 p -63.98 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.542 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 42.5 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.511 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.04 105.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.57 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 4.9 p -130.12 -176.97 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.612 ' N ' ' SD ' ' A' ' 59' ' ' MET . 14.3 tm-20 -78.72 -31.33 46.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.629 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 144' ' ' TYR . 32.7 m-70 -63.89 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.67 50.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -85.45 100.02 11.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.6 -51.57 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -116.16 1.31 13.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.742 0.306 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.16 -15.76 9.35 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.629 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.67 9.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.555 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 54.0 m-85 -114.5 -170.61 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' OH ' ' A' ' 144' ' ' TYR . 80.3 mt -118.29 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.685 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 33.6 t0 -139.3 89.04 12.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.1 Cg_endo -61.03 -36.68 81.23 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.834 2.356 . . . . 0.0 112.005 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.69 HH22 ' NH2' ' A' ' 129' ' ' ARG . 64.8 mtp180 -59.49 -75.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -20.35 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.514 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.685 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 67.9 mttm 62.72 62.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.485 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 33.1 pt -146.48 154.46 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.814 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 2.1 t -92.71 133.0 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.727 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 31.1 p90 -140.08 136.67 33.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 64.4 tttm -88.7 113.39 24.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.857 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 52.1 t80 -82.65 133.06 35.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.667 ' H ' ' HB1' ' A' ' 105' ' ' ALA . 5.0 m-20 -104.56 90.2 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.507 ' CB ' ' HB3' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -36.45 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.623 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' H ' ' ND1' ' A' ' 100' ' ' HIS . 45.5 tp -47.45 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.5 tpp180 -52.85 156.31 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -88.85 2.29 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 80.6 mm-40 -117.19 150.21 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.857 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.22 79.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 71.4 m -95.52 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.5 OUTLIER 73.7 54.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.542 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.814 ' CA ' ' O ' ' A' ' 95' ' ' SER . 59.1 Cg_endo -73.5 -177.82 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.866 2.377 . . . . 0.0 112.046 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.811 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.1 tt0 -160.11 124.57 2.11 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -47.16 130.99 17.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -122.88 102.49 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 51.2 p-10 -75.48 88.41 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.669 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 68.7 p -46.89 164.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 115' ' ' SER . 73.7 mm-40 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.444 ' H ' ' HD3' ' A' ' 118' ' ' LYS . 2.0 p 71.96 35.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.77 -59.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.659 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 59.9 tp -104.14 3.31 32.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.485 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -53.93 -41.93 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.521 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' LYS . 85.2 mt-30 -39.24 -55.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -62.57 -47.62 83.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.742 HH21 ' H ' ' A' ' 145' ' ' GLY . 23.8 ttm180 -53.88 -80.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.566 ' C ' ' O ' ' A' ' 121' ' ' ARG . 82.8 m-20 -25.41 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.5 t -51.11 -48.57 61.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.452 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.1 t0 -40.42 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.1 m -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.41 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.83 -12.27 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.69 ' NH2' HH22 ' A' ' 91' ' ' ARG . 22.1 tpt180 -66.33 -32.78 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.68 -39.22 24.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TYR . . . . . 0.473 ' OH ' ' OE1' ' A' ' 236' ' ' GLU . 45.8 t80 -54.76 -38.8 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 134' ' ' ASP . 4.7 p -74.74 -40.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 52.4 mmtt -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.532 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.2 m-20 -147.58 7.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.511 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.491 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.3 m80 -151.05 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.504 ' OH ' ' NE1' ' A' ' 173' ' ' TRP . 37.3 m-85 -114.68 106.45 52.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.767 2.312 . . . . 0.0 112.044 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -127.56 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.62 12.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -135.08 158.15 45.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.844 0.354 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.5 p -129.55 162.29 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . 0.413 ' HG1' ' C ' ' A' ' 141' ' ' CYS . 78.2 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.573 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 47.4 t -75.74 143.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 146' ' ' LYS . 11.1 t80 -120.24 124.28 45.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.742 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.73 84.51 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.575 ' CG ' ' N ' ' A' ' 147' ' ' SER . 55.0 tttm -123.79 167.33 14.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.358 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' A' ' 146' ' ' LYS . 72.5 m -107.57 115.44 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 20.9 mt -91.1 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 59.0 t0 46.61 54.23 9.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.73 4.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLN . . . . . 0.732 ' CG ' ' O ' ' A' ' 148' ' ' ILE . 10.1 pt20 -53.84 129.83 35.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLN . . . . . 1.036 ' O ' HG13 ' A' ' 181' ' ' ILE . 10.5 mt-30 -85.76 150.49 24.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.721 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 2.7 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.678 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 10.3 mm -108.52 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.427 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 144' ' ' TYR . 2.9 mt -98.11 117.08 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.9 116.03 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.1 m -106.04 135.43 47.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.77 137.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.199 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.6 tm-20 -131.39 151.92 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.991 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' HIS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 2.0 p80 -140.7 170.55 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.982 0.42 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 93.9 mm-40 -148.56 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.238 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -65.41 147.5 53.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.001 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.467 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 0.4 OUTLIER -167.96 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.295 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' PRO . . . . . 0.683 ' C ' ' H ' ' A' ' 167' ' ' ASN . 23.8 Cg_exo -60.73 -52.04 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.736 2.291 . . . . 0.0 112.165 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ASN . . . . . 0.683 ' H ' ' C ' ' A' ' 165' ' ' PRO . 58.2 t-20 -121.95 -10.43 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' PHE . . . . . 0.83 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 50.3 m-85 70.07 80.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' TRP . . . . . 0.83 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.1 p-90 158.83 127.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.711 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 26' ' ' PRO . 1.6 p-10 -135.99 162.35 33.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.11 29.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' ARG . . . . . 0.693 HH11 ' NE ' ' A' ' 174' ' ' ARG . 9.2 ttm180 -165.68 136.61 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.383 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' TRP . . . . . 0.723 ' N ' ' O ' ' A' ' 160' ' ' SER . 7.1 t-105 -107.55 138.92 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.693 ' NE ' HH11 ' A' ' 172' ' ' ARG . 73.2 mtm180 -125.31 152.31 44.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.226 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.31 111.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.046 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.661 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 81.8 tt0 -116.36 124.73 50.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.128 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' TRP . . . . . 0.603 ' CE3' ' CB ' ' A' ' 190' ' ' ALA . 40.3 m95 -120.63 117.0 26.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.64 119.81 38.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.335 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' PHE . . . . . 0.721 ' O ' ' HA ' ' A' ' 153' ' ' THR . 19.5 m-85 -117.47 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.745 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 18.8 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' ILE . . . . . 1.036 HG13 ' O ' ' A' ' 152' ' ' GLN . 1.8 pp -164.34 151.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.637 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' THR . . . . . 0.921 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.47 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.433 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.988 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.2 Cg_exo -34.41 12.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.447 2.764 . . . . 0.0 112.68 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' PRO . . . . . 0.921 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.1 Cg_endo -79.92 -4.26 13.25 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.834 2.356 . . . . 0.0 112.101 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' THR . . . . . 1.026 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.69 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.296 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 1.106 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.89 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.925 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' GLN . . . . . 1.046 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 27.5 mp0 -106.8 -114.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.776 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 2.2 t 145.64 173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' ALA . . . . . 0.776 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.661 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.44 -167.52 2.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 2.0 p -165.78 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.5 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' LEU . . . . . 0.587 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 6.9 mp -85.55 157.84 20.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -150.35 147.77 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' ILE . . . . . 0.433 ' CD1' ' CZ3' ' A' ' 173' ' ' TRP . 23.9 mt -149.45 134.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.23 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -142.32 130.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.958 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.703 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.2 t -132.69 136.66 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.092 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' HIS . . . . . 0.763 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 11.1 t60 -126.56 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 51.0 t80 -145.55 87.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.607 ' CG ' ' O ' ' A' ' 199' ' ' TYR . 1.4 t80 -100.08 87.72 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' GLU . . . . . 1.066 ' O ' ' CG ' ' A' ' 201' ' ' ASP . 58.2 tt0 -129.41 52.18 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' ASP . . . . . 1.066 ' CG ' ' O ' ' A' ' 200' ' ' GLU . 51.1 p30 114.82 2.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.393 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.66 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -172.82 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 129.16 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' GLN . . . . . 0.703 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 9.8 mt-30 -136.81 154.14 50.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 12.7 tp -122.27 87.17 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.02 122.21 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.419 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 7.2 p -149.61 147.22 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.747 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' HIS . . . . . 0.473 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 35.2 p80 -157.82 145.15 18.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.162 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -135.44 129.03 32.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -103.55 129.83 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.196 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.7 tt -127.15 154.83 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.947 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -150.13 102.58 3.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' ASP . . . . . 0.63 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 98.5 m-20 -118.81 166.06 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.747 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' SER . . . . . 1.046 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 33.5 p -117.75 103.36 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' VAL . . . . . 1.106 ' O ' ' O ' ' A' ' 186' ' ' ALA . 81.3 t -91.9 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' GLN . . . . . 1.026 ' HA ' ' O ' ' A' ' 185' ' ' THR . 77.9 mt-30 -102.63 128.06 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' VAL . . . . . 0.988 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 79.7 t -86.04 137.52 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.624 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 43.8 m -131.02 -98.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' SER . . . . . 0.661 ' HG ' ' H ' ' A' ' 221' ' ' ASP . 2.0 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' ASP . . . . . 0.661 ' H ' ' HG ' ' A' ' 220' ' ' SER . 65.6 t0 -86.87 -62.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.11 -24.69 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -73.94 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.481 HG21 ' O ' ' A' ' 221' ' ' ASP . 5.0 t -54.55 -36.97 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 225' ' ' ALA . . . . . 0.465 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.52 -57.09 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.11 -30.49 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.43 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.63 -38.75 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.448 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -67.74 -53.87 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 229' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.8 mm -52.13 -27.38 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.363 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -74.86 -36.73 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 4.4 mm -67.5 -41.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.479 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 232' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 177' ' ' TRP . 98.6 mt -70.11 -44.49 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -56.99 -47.03 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.62 -43.93 71.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.87 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.43 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 236' ' ' GLU . . . . . 0.473 ' OE1' ' OH ' ' A' ' 131' ' ' TYR . 12.8 tt0 -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 237' ' ' ASN . . . . . 0.495 ' HA ' HH22 ' B' ' 544' ' ' ARG . 93.4 m-20 -60.05 -40.21 88.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.418 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.78 -34.38 73.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.44 -44.44 74.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 240' ' ' GLN . . . . . 0.447 ' CB ' ' NH2' ' B' ' 544' ' ' ARG . 50.7 tp60 -68.15 -38.95 82.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 83.8 m -61.45 -45.74 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.49 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 243' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 243' ' ' ILE . 52.8 mt -69.18 -47.51 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.69 -34.22 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -42.89 84.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.15 -34.61 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 247' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.92 -31.89 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.21 -50.91 19.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 249' ' ' THR . . . . . 0.539 ' O ' ' HB ' ' A' ' 253' ' ' THR . 42.8 p -64.77 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 50.3 mtt -72.9 -14.49 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 251' ' ' SER . . . . . 0.443 ' O ' ' NZ ' ' A' ' 256' ' ' LYS . 3.2 p -113.01 -10.09 13.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 93.8 m-20 -132.12 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.8 m 175.72 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 254' ' ' THR . . . . . 0.465 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 7.0 m -53.52 -61.24 2.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -47.68 -57.49 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 256' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 251' ' ' SER . 64.6 mttp -64.27 -11.74 34.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 257' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.21 30.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 259' ' ' ARG . . . . . 0.776 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 15.6 ttp180 -98.64 174.48 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 260' ' ' ARG . . . . . 0.776 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 0.0 OUTLIER -109.17 153.18 24.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.73 -11.2 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 262' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 262' ' ' LEU . 0.3 OUTLIER -163.67 133.28 3.1 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 263' ' ' PRO . . . . . 0.732 ' HG3' ' CZ ' ' B' ' 411' ' ' TYR . 34.3 Cg_exo -43.96 135.39 7.86 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.892 2.395 . . . . 0.0 112.087 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 264' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 263' ' ' PRO . 21.6 t -37.76 -38.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 89.2 m -64.15 -5.46 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.9 ttm180 54.17 55.57 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 267' ' ' THR . . . . . 0.627 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.25 114.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.405 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 268' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 267' ' ' THR . 24.6 mtmm -16.76 131.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.626 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 269' ' ' ILE . . . . . 0.447 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 7.5 tt -50.23 158.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 270' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 273' ' ' LYS . 10.6 t70 -117.12 58.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 271' ' ' TRP . . . . . 0.593 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.37 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 272' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 270' ' ' ASP . 44.1 t30 -44.55 -25.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 273' ' ' LYS . . . . . 1.224 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 19.0 pttt -99.93 -7.71 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.661 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 274' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' A' ' 271' ' ' TRP . 1.3 tp -103.19 -1.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 275' ' ' LEU . . . . . 0.728 ' O ' ' CB ' ' A' ' 276' ' ' SER . 77.0 mt -111.09 44.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 276' ' ' SER . . . . . 1.309 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.4 m 141.94 -38.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 277' ' ' TYR . . . . . 1.224 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.7 t80 -31.01 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 278' ' ' LYS . . . . . 1.309 ' N ' ' O ' ' A' ' 276' ' ' SER . 99.4 mttt -107.67 80.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.2 pt 54.21 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.64 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.528 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 302' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 16.1 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -42.8 -51.22 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.36 -34.12 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 305' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 302' ' ' SER . 24.0 mt-30 -60.77 -49.03 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.2 -40.67 77.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.411 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.92 -40.8 95.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 94.0 m -68.14 -37.21 80.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.362 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.15 96.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.357 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.36 -38.35 84.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -68.31 -33.71 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.79 -43.73 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 79.1 mmm -64.37 -25.61 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 314' ' ' ARG . . . . . 0.588 ' NH2' ' OH ' ' A' ' 199' ' ' TYR . 3.9 mtp180 -82.28 -12.34 58.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.42 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 315' ' ' ARG . . . . . 0.546 ' NE ' ' OE1' ' A' ' 31' ' ' GLU . 27.6 mmt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.67 147.74 95.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 317' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' B' ' 318' ' ' PRO . 50.8 Cg_exo -49.63 128.38 20.93 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.808 2.338 . . . . 0.0 112.047 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 318' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' B' ' 317' ' ' PRO . 6.8 Cg_exo -71.43 -4.05 14.21 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.878 2.385 . . . . 0.0 112.041 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -80.61 -17.76 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -123.92 39.42 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 321' ' ' ILE . . . . . 0.521 HD12 HG21 ' B' ' 321' ' ' ILE . 35.6 mm -63.4 -40.79 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.74 -60.85 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.38 42.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -54.71 -55.77 26.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.439 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' B' ' 345' ' ' GLN . 42.8 tp -47.14 -48.92 23.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.5 t -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.424 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -62.39 -40.76 97.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.51 -41.08 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.47 -41.11 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -57.81 -37.96 74.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.42 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.25 -29.11 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.57 84.63 9.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -68.08 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.76 2.307 . . . . 0.0 112.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.0 m -89.31 -6.5 56.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 79.1 mt -119.04 20.92 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 27.1 p -64.15 -55.83 19.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' GLU . . . . . 0.584 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 81.0 tt0 -60.39 -50.36 73.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.76 -36.14 73.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' LEU . . . . . 0.478 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.1 mt -79.09 -28.62 43.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 44.2 mt -81.49 12.4 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.8 p -144.09 -3.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.6 t -119.33 -15.49 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.87 120.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.466 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.87 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' GLN . . . . . 0.418 ' OE1' ' CD2' ' B' ' 325' ' ' LEU . 0.0 OUTLIER -129.35 165.92 29.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.481 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.41 125.27 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.849 2.366 . . . . 0.0 112.095 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.7 122.44 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.663 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -88.59 148.77 23.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.455 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.3 tt -102.98 136.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.74 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' ALA . . . . . 0.728 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.67 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.481 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -114.34 143.34 45.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.605 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . 0.962 ' O ' ' N ' ' B' ' 356' ' ' GLY . 40.6 t0 -111.92 81.44 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.456 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.9 mttt -37.24 -62.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 97.3 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.94 -25.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . 0.962 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.69 70.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' B' ' 352' ' ' ASP . 98.4 mttt -115.14 154.93 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 358' ' ' ASP . . . . . 0.728 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.0 m-20 -94.75 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 359' ' ' TYR . . . . . 0.682 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.7 p90 -139.66 135.78 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.22 156.64 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.6 mt -108.54 158.56 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.615 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 362' ' ' CYS . . . . . 0.463 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 20.2 p -168.19 168.65 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 7.7 p-10 -75.5 -10.25 59.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.4 -18.24 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 365' ' ' ASN . . . . . 0.463 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 53.3 p30 -123.16 24.73 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -119.94 129.81 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.511 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -122.18 99.48 6.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.09 -98.67 1.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.34 8.67 7.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 370' ' ' SER . . . . . 0.979 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 4.5 m -122.33 161.32 23.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 371' ' ' TYR . . . . . 1.112 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.4 OUTLIER -118.29 150.84 38.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.499 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 372' ' ' ARG . . . . . 0.406 ' NH1' ' OH ' ' B' ' 420' ' ' TYR . 17.5 mtt180 -98.78 124.73 43.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 373' ' ' SER . . . . . 0.71 ' HG ' ' H ' ' B' ' 378' ' ' LYS . 96.1 p -79.66 133.77 58.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.91 -14.71 19.13 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.788 2.326 . . . . 0.0 112.227 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -85.89 -66.31 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 80.1 p -83.05 -18.62 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.663 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 377' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' B' ' 373' ' ' SER . 10.7 m-80 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 378' ' ' LYS . . . . . 0.71 ' H ' ' HG ' ' B' ' 373' ' ' SER . 65.6 mmtt -141.55 137.89 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 379' ' ' TYR . . . . . 1.112 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.76 140.4 58.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 380' ' ' ASP . . . . . 0.757 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.91 -60.48 6.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.328 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 381' ' ' PRO . . . . . 0.979 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.45 120.0 7.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.022 2.481 . . . . 0.0 112.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -41.53 79.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.96 2.44 . . . . 0.0 112.317 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 383' ' ' LEU . . . . . 0.688 ' CD2' ' H ' ' B' ' 384' ' ' GLU . 0.4 OUTLIER -84.51 177.52 8.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . 0.688 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -117.0 66.03 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 386' ' ' GLY . . . . . 0.838 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.2 151.71 47.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -64.03 127.32 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.579 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -132.25 148.59 70.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.97 150.75 49.36 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.779 2.319 . . . . 0.0 112.172 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.4 m -52.67 142.87 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.54 -43.79 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.546 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -67.93 -37.77 82.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.84 -42.46 70.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.391 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -55.32 -36.79 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.51 -46.63 85.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.32 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.37 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -67.77 -38.01 82.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.09 -40.27 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.38 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.76 -36.95 78.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.321 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.89 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -63.97 -38.94 92.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.22 -40.32 67.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.01 78.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 404' ' ' PHE . . . . . 0.422 ' CZ ' ' CD1' ' B' ' 432' ' ' ILE . 17.1 m-85 -69.33 -29.22 67.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 405' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' B' ' 408' ' ' ARG . 12.1 t70 -54.58 -38.91 67.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -77.01 -32.93 57.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 407' ' ' TYR . . . . . 0.511 ' O ' ' CD1' ' B' ' 411' ' ' TYR . 34.8 t80 -69.73 -18.61 63.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 408' ' ' ARG . . . . . 0.564 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.82 -35.48 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -85.16 -8.98 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.602 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 410' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 41.1 mt -95.83 -17.95 20.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 411' ' ' TYR . . . . . 0.732 ' CZ ' ' HG3' ' A' ' 263' ' ' PRO . 2.2 m-85 -118.81 -38.12 3.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 412' ' ' PHE . . . . . 0.568 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 5.5 m-85 -100.55 -25.93 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 413' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 80.3 mt-10 63.44 24.38 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.72 -154.45 25.41 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.44 -163.51 52.91 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 58.8 t -128.66 153.72 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 110.462 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 417' ' ' SER . . . . . 0.564 ' N ' HH12 ' B' ' 408' ' ' ARG . 36.3 t -143.6 148.52 36.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.683 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 43.9 t -148.2 143.97 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.88 130.26 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.767 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 420' ' ' TYR . . . . . 0.523 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 12.7 t80 -128.48 132.46 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.334 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.66 158.41 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.737 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -154.48 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -42.99 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.621 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 424' ' ' LEU . . . . . 0.499 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.1 tp -127.87 -147.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.563 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 425' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 426' ' ' HIS . 0.9 OUTLIER -87.33 -49.81 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 426' ' ' HIS . . . . . 0.532 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 98.9 m-70 -129.8 30.72 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.67 2.57 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.67 154.13 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -123.99 172.84 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 430' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.7 35.05 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 431' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 4.3 p -130.05 126.39 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 432' ' ' ILE . . . . . 0.574 ' O ' ' ND1' ' B' ' 452' ' ' HIS . 14.8 mt -103.35 113.59 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 433' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' B' ' 450' ' ' SER . 24.5 mt -102.81 143.11 32.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 434' ' ' ILE . . . . . 0.506 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 14.5 mt -148.64 119.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.639 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -122.56 127.54 49.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 436' ' ' LYS . . . . . 0.568 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.17 119.61 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.14 40.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.607 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.49 45.13 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -50.74 128.04 19.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.58 9.75 75.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 98.8 p -110.39 -4.24 15.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 110.58 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.18 153.89 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -56.97 -43.75 81.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.627 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 444' ' ' ILE . . . . . 0.752 ' H ' ' CD1' ' B' ' 444' ' ' ILE . 0.1 OUTLIER -95.13 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -105.81 154.69 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.344 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.46 24.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 31.0 m -149.49 130.6 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.214 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 448' ' ' TRP . . . . . 0.55 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.2 t-105 -114.78 116.26 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 449' ' ' ASP . . . . . 0.426 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.2 m-20 -109.5 127.19 54.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 450' ' ' SER . . . . . 0.506 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 1.3 m -115.9 122.76 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 451' ' ' ILE . . . . . 0.401 HD12 HG21 ' B' ' 451' ' ' ILE . 90.9 mt -127.96 100.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.217 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 452' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' B' ' 432' ' ' ILE . 2.4 m80 -108.63 132.42 53.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.73 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 5.8 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -131.8 102.16 5.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.328 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 77.1 t -79.06 139.6 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.795 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -123.5 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 458' ' ' GLU . . . . . 0.513 ' CD ' ' N ' ' B' ' 459' ' ' LYS . 8.0 tm-20 -40.32 146.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 459' ' ' LYS . . . . . 0.592 ' CG ' ' O ' ' B' ' 464' ' ' THR . 34.0 mmtm -109.36 141.97 40.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.94 -54.17 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 36.1 p -126.71 146.56 50.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 462' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.75 48.17 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 463' ' ' ARG . . . . . 0.485 HH11 ' HG3' ' B' ' 463' ' ' ARG . 24.3 mmm-85 59.15 -0.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 464' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.23 123.59 29.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.445 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -92.93 126.6 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 467' ' ' TYR . . . . . 0.471 ' HH ' ' HD1' ' B' ' 509' ' ' HIS . 84.3 m-85 -103.18 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -135.8 86.11 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.173 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.21 157.6 23.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.996 0.427 . . . . 0.0 111.09 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 470' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' B' ' 470' ' ' THR . 14.7 t -157.89 62.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.05 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 471' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 95.2 p -64.65 174.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.127 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 472' ' ' THR . . . . . 0.428 ' CG2' ' HG1' ' B' ' 494' ' ' THR . 56.0 m -168.79 87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.151 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 473' ' ' VAL . . . . . 0.554 ' O ' ' OG ' ' B' ' 492' ' ' SER . 97.5 t -69.72 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 474' ' ' MET . . . . . 0.558 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.3 ttt -124.79 96.04 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.136 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.7 131.21 34.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.31 130.28 51.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.223 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.4 mt -137.38 124.73 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 110.725 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 478' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' B' ' 479' ' ' THR . 52.5 tt0 -138.24 158.13 44.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 479' ' ' THR . . . . . 0.401 ' N ' ' CG ' ' B' ' 478' ' ' GLN . 1.9 t -163.44 127.51 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 480' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 98.8 m-20 -108.2 73.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 481' ' ' LYS . . . . . 0.874 ' O ' ' N ' ' B' ' 485' ' ' GLY . 66.4 tttm -107.61 146.6 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 482' ' ' THR . . . . . 0.475 ' HG1' ' N ' ' B' ' 483' ' ' GLY . 62.2 p -57.26 -45.96 83.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 483' ' ' GLY . . . . . 0.475 ' N ' ' HG1' ' B' ' 482' ' ' THR . . . -63.66 -25.24 68.74 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 484' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.2 p -125.93 14.86 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 485' ' ' GLY . . . . . 0.874 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 486' ' ' THR . . . . . 0.473 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 18.5 p -126.06 114.0 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.479 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 487' ' ' MET . . . . . 0.558 ' C ' HD21 ' B' ' 488' ' ' ASN . 11.6 ttp -125.11 118.03 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 488' ' ' ASN . . . . . 0.558 HD21 ' C ' ' B' ' 487' ' ' MET . 1.1 m-80 -118.98 123.93 45.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 489' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 17.9 tp -131.61 76.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.47 -163.85 21.74 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 491' ' ' GLY . . . . . 0.554 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.65 11.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 492' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' B' ' 474' ' ' MET . 27.0 t 163.24 135.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.478 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 493' ' ' LEU . . . . . 0.619 HD13 ' H ' ' B' ' 494' ' ' THR . 0.2 OUTLIER -110.59 149.43 30.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 494' ' ' THR . . . . . 0.619 ' H ' HD13 ' B' ' 493' ' ' LEU . 55.5 m -127.09 142.86 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.517 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -149.95 128.75 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -92.87 160.58 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 3.1 tpp -160.02 130.46 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 498' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 498' ' ' GLU . 4.0 mp0 -133.49 141.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -172.26 145.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 500' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.4 p-10 -91.23 125.21 35.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 501' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.7 tt0 -120.67 160.19 23.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 76.1 p -94.24 131.8 39.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.6 122.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.94 -35.89 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.2 p -83.6 -19.89 34.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.6 t -135.43 73.4 63.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.614 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.58 -172.54 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.742 2.295 . . . . 0.0 112.176 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 509' ' ' HIS . . . . . 0.471 ' HD1' ' HH ' ' B' ' 467' ' ' TYR . 96.6 m-70 -58.79 -62.73 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.474 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 67.4 mt -42.69 -49.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.29 71.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 512' ' ' ASN . . . . . 0.432 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 46.6 m-20 -62.96 -48.1 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 67.6 mt -61.07 -33.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 514' ' ' GLY . . . . . 0.505 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.77 -46.53 74.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -57.35 -44.36 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.15 -52.51 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.598 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.48 -47.24 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -57.89 -51.66 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.81 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 519' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.4 t0 -63.55 -37.5 87.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.733 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.39 -49.37 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.759 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.62 -45.23 93.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 522' ' ' ASN . . . . . 0.537 HD21 HH12 ' A' ' 259' ' ' ARG . 2.8 m120 -56.96 -41.43 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -70.61 -38.46 73.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.35 -24.41 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 525' ' ' ARG . . . . . 0.63 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.73 -27.64 66.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.661 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 526' ' ' SER . . . . . 0.55 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 69.2 p -85.04 -38.74 18.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.3 m -66.04 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.649 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 528' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 66.1 mt -64.95 -42.38 94.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.692 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.5 -31.33 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 530' ' ' GLU . . . . . 0.975 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.4 mt-10 -74.32 -54.44 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 531' ' ' ILE . . . . . 0.418 HG22 HD11 ' B' ' 531' ' ' ILE . 83.5 mt -64.47 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 532' ' ' TYR . . . . . 0.687 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 18.0 m-85 -50.23 -86.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 533' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.59 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 534' ' ' GLY . . . . . 0.975 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.14 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 64.8 mttp -56.94 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 536' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.6 p -34.78 -58.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 537' ' ' LYS . . . . . 0.486 ' HZ1' HD22 ' B' ' 541' ' ' ASN . 66.0 tttm -50.31 -53.29 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.19 -44.94 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 36.6 mm -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.46 -41.95 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 541' ' ' ASN . . . . . 0.486 HD22 ' HZ1' ' B' ' 537' ' ' LYS . 74.2 m-20 -69.76 -17.14 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.49 -27.37 47.98 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 543' ' ' LEU . . . . . 0.441 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.9 mt -68.11 -51.41 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 544' ' ' ARG . . . . . 0.726 ' HG2' ' H ' ' B' ' 545' ' ' SER . 9.1 ttp180 -141.81 170.09 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 545' ' ' SER . . . . . 0.726 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.4 t -142.22 137.82 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -43.5 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.83 138.62 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 548' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.49 122.11 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.536 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 549' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' B' ' 551' ' ' ASP . 77.8 mt -79.52 112.72 31.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 550' ' ' PRO . . . . . 0.569 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.4 Cg_exo -46.54 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.862 2.375 . . . . 0.0 112.121 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 551' ' ' ASP . . . . . 0.569 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.6 p-10 -25.24 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 552' ' ' ASN . . . . . 0.546 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 45.3 p-10 -129.88 116.11 18.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.57 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 553' ' ' GLN . . . . . 0.589 ' CD ' ' H ' ' B' ' 553' ' ' GLN . 1.4 pm0 -85.21 -24.8 27.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 554' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' B' ' 558' ' ' LEU . 50.5 mtmt -52.55 -64.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 555' ' ' TYR . . . . . 0.546 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.1 m-85 -45.19 -56.71 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -57.53 -46.92 83.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -65.83 -29.71 70.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.805 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 558' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 554' ' ' LYS . 60.9 tp -77.74 -30.36 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.54 -36.4 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -58.22 -40.54 81.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 561' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.81 -61.82 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.648 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 562' ' ' LEU . . . . . 0.878 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 1.1 tt -49.02 -40.77 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.649 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.4 m -61.19 -76.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.683 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -36.64 -13.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.688 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 565' ' ' VAL . . . . . 0.878 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 15.5 t -72.09 -42.74 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 566' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 563' ' ' SER . 76.4 mt -81.4 -35.62 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.0 p -70.28 -19.54 63.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -117.59 6.69 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.1 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 570' ' ' GLN . . . . . 0.793 ' O ' ' CB ' ' B' ' 571' ' ' ILE . 40.3 tt0 139.8 128.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 571' ' ' ILE . . . . . 0.793 ' CB ' ' O ' ' B' ' 570' ' ' GLN . 14.0 tt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 601' ' ' MET . . . . . 0.498 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.18 5.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 603' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' C' ' 601' ' ' MET . 98.5 m-20 -49.77 -37.85 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 604' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' C' ' 608' ' ' TRP . 88.8 tttt -69.68 -52.18 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -55.11 -28.92 56.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.68 -53.68 8.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 607' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 2.7 ptt? -72.75 -36.82 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 608' ' ' TRP . . . . . 0.448 ' N ' ' O ' ' C' ' 604' ' ' LYS . 76.1 t-105 -56.79 -15.99 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 609' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.45 -50.68 13.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 610' ' ' LEU . . . . . 0.613 HD11 ' H ' ' C' ' 610' ' ' LEU . 3.5 mp -66.28 2.06 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 611' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.5 tttm -102.09 -66.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -70.38 -4.26 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 613' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.05 21.81 58.47 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 7.2 m-20 -63.86 49.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 615' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' C' ' 613' ' ' GLY . 3.0 tm? -44.97 -17.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.77 -27.53 50.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 617' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' C' ' 614' ' ' ASP . 55.3 tp10 -81.49 -49.86 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.598 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -28.37 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.563 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -66.26 -21.86 66.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.511 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 620' ' ' ASP . . . . . 0.561 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 65.1 t0 -75.32 -45.42 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.96 -59.14 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 11.1 m -57.74 -27.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 623' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.68 -16.81 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 625' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.92 82.39 0.1 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 626' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.1 pt-20 34.27 95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 627' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 48.3 p-10 -140.98 62.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.602 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 628' ' ' VAL . . . . . 0.644 HG13 ' O ' ' C' ' 654' ' ' LEU . 35.5 t -121.98 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -173.02 5.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 630' ' ' ARG . . . . . 0.455 ' HG3' ' H ' ' C' ' 631' ' ' THR . 5.8 tpt180 -79.01 166.87 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.1 87.68 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.6 tp -31.29 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 633' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' C' ' 634' ' ' GLY . 12.0 tm-20 -71.69 -76.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 634' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' C' ' 633' ' ' GLU . . . -153.7 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 635' ' ' GLY . . . . . 0.497 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.43 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 636' ' ' ARG . . . . . 0.683 HH21 ' CD2' ' C' ' 640' ' ' HIS . 68.1 mtp180 -127.97 164.88 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.505 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 637' ' ' LYS . . . . . 0.504 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 638' ' ' PRO . . . . . 0.478 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.4 Cg_endo -73.66 25.0 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.871 2.381 . . . . 0.0 112.083 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 639' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.3 mp -117.7 -16.29 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 640' ' ' HIS . . . . . 0.683 ' CD2' HH21 ' C' ' 636' ' ' ARG . 18.9 t60 -75.24 -43.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.73 -35.95 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -45.0 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.609 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 644' ' ' ASP . . . . . 0.507 ' O ' ' SG ' ' C' ' 645' ' ' CYS . 33.3 m-20 -60.59 -35.68 76.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 645' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 20.1 m -160.89 65.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.1 4.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 647' ' ' GLN . . . . . 0.583 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 42.9 tt0 51.74 4.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.569 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 648' ' ' LEU . . . . . 0.847 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.58 7.06 5.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -115.78 -12.64 11.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 650' ' ' ILE . . . . . 0.408 ' O ' HD12 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -87.53 -36.15 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 651' ' ' LEU . . . . . 1.055 HD21 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.29 -52.92 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.615 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 652' ' ' GLU . . . . . 1.055 ' H ' HD21 ' C' ' 651' ' ' LEU . 82.6 tt0 -56.2 -22.57 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.1 m-85 -75.85 -97.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 654' ' ' LEU . . . . . 0.644 ' O ' HG13 ' C' ' 628' ' ' VAL . 1.9 mp -41.32 6.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.0 tt -102.93 -47.85 4.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.26 -25.38 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 657' ' ' LYS . . . . . 0.404 ' HB3' ' H ' ' C' ' 658' ' ' GLY . 0.0 OUTLIER -72.83 -90.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.518 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 658' ' ' GLY . . . . . 0.404 ' H ' ' HB3' ' C' ' 657' ' ' LYS . . . -65.35 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 659' ' ' ALA . . . . . 0.747 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.08 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 660' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' C' ' 662' ' ' ASN . 87.6 m-20 -57.42 10.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 661' ' ' ILE . . . . . 0.747 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.9 tp -66.09 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 662' ' ' ASN . . . . . 1.056 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.1 p30 -163.7 -18.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 663' ' ' ALA . . . . . 0.775 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.1 -33.68 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 664' ' ' PRO . . . . . 1.056 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 84.6 Cg_exo -46.94 120.79 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.882 2.388 . . . . 0.0 112.123 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 665' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.5 p-10 -125.9 -50.44 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -78.79 -16.16 57.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 667' ' ' HIS . . . . . 0.5 ' CG ' ' HZ1' ' C' ' 637' ' ' LYS . 35.5 m80 -80.44 -6.31 57.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 40.53 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.644 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 17.1 tt -176.89 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.23 168.7 10.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 671' ' ' PRO . . . . . 0.539 ' O ' ' OG ' ' C' ' 674' ' ' SER . 55.0 Cg_endo -72.46 -30.53 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.85 2.367 . . . . 0.0 112.118 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 1.1 tp -45.35 -49.06 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 673' ' ' LEU . . . . . 0.631 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.83 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 674' ' ' SER . . . . . 0.626 ' HG ' ' N ' ' C' ' 675' ' ' ALA . 20.5 p -51.78 -40.89 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 675' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.55 -30.02 61.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 676' ' ' VAL . . . . . 0.631 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 7.9 t -47.13 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.84 39.34 0.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 678' ' ' GLU . . . . . 0.646 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 37.6 mm-40 -124.5 -28.68 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.24 -11.29 72.48 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 680' ' ' HIS . . . . . 0.915 ' C ' ' H ' ' C' ' 682' ' ' SER . 48.3 m80 -71.99 -53.48 12.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 681' ' ' VAL . . . . . 0.429 HG23 ' O ' ' C' ' 680' ' ' HIS . 1.2 m 43.24 -4.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 682' ' ' SER . . . . . 0.915 ' H ' ' C ' ' C' ' 680' ' ' HIS . 0.3 OUTLIER -67.45 -24.26 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.95 -48.73 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 684' ' ' VAL . . . . . . . . . . . . . 59.0 t -41.86 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 685' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' C' ' 687' ' ' LEU . 88.8 tttt -62.59 -73.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.99 1.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 687' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' C' ' 685' ' ' LYS . 3.4 mt -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 1.1 mp -45.64 -21.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.5 m -55.76 -21.54 19.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -99.61 -6.27 27.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 691' ' ' GLY . . . . . 1.078 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.93 0.42 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 692' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.26 18.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.315 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 693' ' ' ASP . . . . . 1.078 ' N ' ' O ' ' C' ' 691' ' ' GLY . 9.7 p-10 33.09 -128.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 694' ' ' LYS . . . . . 0.557 ' H ' ' CG ' ' C' ' 693' ' ' ASP . 26.1 pttm -152.5 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.552 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 695' ' ' THR . . . . . 0.525 ' N ' ' OD2' ' C' ' 693' ' ' ASP . 3.7 m -156.58 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 696' ' ' VAL . . . . . 0.409 ' CG2' ' OD1' ' C' ' 693' ' ' ASP . 0.0 OUTLIER -93.52 -29.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -140.21 23.57 2.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.78 20.33 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 699' ' ' PRO . . . . . 0.637 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 78.1 Cg_exo -44.73 -27.76 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 700' ' ' ASP . . . . . 0.637 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.0 t70 157.66 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 701' ' ' GLY . . . . . 0.573 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.81 0.38 89.15 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 702' ' ' LEU . . . . . 0.644 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.4 tt -53.83 -66.67 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.632 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 703' ' ' THR . . . . . 0.644 ' C ' ' O ' ' C' ' 702' ' ' LEU . 11.8 p 16.19 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 704' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' C' ' 707' ' ' ALA . . . -106.61 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 705' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.5 tp -62.82 -75.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.75 15.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 707' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' C' ' 703' ' ' THR . . . -83.45 -70.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 708' ' ' THR . . . . . 0.545 ' HG1' ' N ' ' C' ' 709' ' ' ASP . 29.4 p -139.78 -142.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 709' ' ' ASP . . . . . 0.545 ' N ' ' HG1' ' C' ' 708' ' ' THR . 53.0 p-10 -148.79 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -72.59 151.86 42.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -71.53 -20.53 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.14 -60.44 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 35.5 mm -69.99 -37.65 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.05 -29.96 23.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 716' ' ' LEU . . . . . 1.086 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.06 98.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 717' ' ' LEU . . . . . 1.086 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.3 mm? 124.1 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 718' ' ' GLN . . . . . 0.516 ' OXT' ' NE2' ' C' ' 718' ' ' GLN . 37.3 tp60 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.621 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 m -54.15 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 m -45.94 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 45.2 p-10 -64.93 -33.58 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 81.8 tt0 -60.48 -39.3 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' O ' HG12 ' A' ' 16' ' ' ILE . 95.9 mt-10 -67.56 -40.99 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -63.73 -35.87 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.0 t -65.3 -43.7 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -61.59 -39.71 92.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 12' ' ' GLU . 50.8 mm -65.46 -47.36 87.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.497 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.97 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.68 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 31.4 ttpt -65.86 -41.33 91.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.2 -44.84 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -46.49 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.675 ' HG1' ' HD1' ' A' ' 23' ' ' HIS . 67.5 p -75.96 8.44 3.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.675 ' HD1' ' HG1' ' A' ' 22' ' ' THR . 2.3 m80 -123.71 15.3 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.98 81.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.476 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.21 167.52 21.8 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.815 2.343 . . . . 0.0 112.025 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -70.93 116.18 4.57 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.733 2.288 . . . . 0.0 112.16 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.52 35.28 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' B' ' 315' ' ' ARG . 94.8 mt-10 -149.29 37.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -73.83 -48.87 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.03 -57.4 12.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 31' ' ' GLU . 57.4 mp0 -44.52 -54.44 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.76 -42.51 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.626 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.21 -50.91 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.02 -37.93 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.08 -42.06 97.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.07 -41.82 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -56.39 -54.76 41.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD1' ' SG ' ' B' ' 308' ' ' CYS . 64.2 mt -59.31 -34.82 72.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.2 -49.74 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.73 -32.62 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.1 t30 46.64 49.69 13.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 7.3 m120 -168.65 79.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.85 -37.97 54.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.13 -44.2 71.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 9.0 mp -77.3 -30.83 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.81 -38.6 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.23 -35.54 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -40.97 -59.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.9 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.14 -56.76 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.835 0.35 . . . . 0.0 110.612 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.53 87.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -54.35 -36.94 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.44 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.59 -56.53 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.568 ' O ' ' SD ' ' A' ' 59' ' ' MET . . . -52.72 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.562 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 92.5 mm-40 -33.65 -45.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.11 -72.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.96 -30.93 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.629 ' SD ' ' N ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -68.87 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.83 10.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 11.1 mm100 -124.58 24.8 7.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.59 ' C ' ' O ' ' A' ' 61' ' ' GLN . 79.5 m-85 23.87 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 31.4 m -58.82 111.36 3.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.8 Cg_exo -75.71 115.23 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.884 2.39 . . . . 0.0 112.211 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 7.1 p -109.4 165.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.494 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 64.9 mttp -125.16 103.97 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.0 mp -51.57 148.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.9 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.519 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.44 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.801 ' O ' ' N ' ' A' ' 72' ' ' ASP . 65.4 m-85 -137.43 14.73 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.618 ' C ' ' O ' ' A' ' 70' ' ' TYR . 34.6 p30 20.23 39.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 1.058 ' O ' ' N ' ' A' ' 74' ' ' VAL . 40.7 t0 -98.73 19.44 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.2 mp0 -0.26 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.058 ' N ' ' O ' ' A' ' 72' ' ' ASP . 11.4 p -63.87 173.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.531 HD13 ' N ' ' A' ' 75' ' ' LEU . 9.9 mp -113.39 152.34 30.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 HG21 ' CE2' ' A' ' 87' ' ' PHE . 81.5 mt -104.08 105.45 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.764 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 3.0 p -130.11 -176.95 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -31.32 46.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.62 ' HD1' ' NZ ' ' A' ' 146' ' ' LYS . 73.6 m-70 -63.97 -23.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.66 50.56 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' HA ' ' CD1' ' A' ' 87' ' ' PHE . 67.4 t0 -85.49 100.02 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -49.68 -51.48 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.7 25.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -116.14 1.31 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' CE1' ' A' ' 98' ' ' PHE . . . 121.13 -15.75 9.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -108.37 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.764 ' CE2' ' O ' ' A' ' 77' ' ' THR . 1.4 m-85 -114.48 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 tp -118.3 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.686 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 9.9 t70 -139.33 89.02 12.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.358 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -61.05 -36.67 81.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.826 2.351 . . . . 0.0 112.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.504 ' HE ' ' NH2' ' A' ' 129' ' ' ARG . 0.5 OUTLIER -59.46 -75.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -76.54 -20.27 57.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.686 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 49.1 mttt 62.71 62.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.484 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 6.1 mt -146.45 154.44 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.809 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.8 t -92.72 133.04 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.725 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 49.6 p90 -140.11 136.68 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 66.0 tttm -88.7 113.45 24.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.855 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 45.1 p90 -82.7 133.03 35.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.669 ' H ' ' HB1' ' A' ' 105' ' ' ALA . 27.0 t0 -104.51 90.11 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.639 ' H ' ' CD2' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.39 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.6 tp -47.49 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 99' ' ' ASP . 99.1 mtt180 -52.84 156.29 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.534 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -88.87 2.36 53.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -117.28 150.25 39.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.575 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.855 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 64.5 m -95.55 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t70 73.79 54.42 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.809 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.47 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.813 2.342 . . . . 0.0 112.065 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.808 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.9 OUTLIER -160.12 124.55 2.1 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.21 131.0 17.57 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.82 2.347 . . . . 0.0 112.028 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -122.84 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.4 p-10 -75.5 88.43 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.45 ' OG1' ' CE ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -46.89 164.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -76.13 -30.0 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.444 ' H ' ' HG1' ' A' ' 113' ' ' THR . 1.1 m 71.84 35.67 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.79 -59.92 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.452 ' H ' ' HG ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.14 3.37 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.527 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.45 ' CE ' ' OG1' ' A' ' 113' ' ' THR . 5.3 mptt -54.04 -41.88 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -39.17 -56.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -62.49 -47.6 83.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.556 ' O ' ' C ' ' A' ' 122' ' ' ASP . 8.4 tmm_? -53.91 -80.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.6 t0 -25.42 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.536 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.7 t -51.12 -48.56 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.433 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 63.6 t0 -40.36 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 80.1 p -48.01 -46.15 32.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.478 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.49 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.79 -12.18 60.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.504 ' NH2' ' HE ' ' A' ' 91' ' ' ARG . 38.6 ttm180 -66.44 -32.74 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.611 ' HA ' ' HG2' ' A' ' 133' ' ' LYS . . . -81.67 -39.28 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.435 ' HB2' ' CG2' ' A' ' 229' ' ' ILE . 57.0 t80 -54.73 -38.81 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 134' ' ' ASP . 6.6 p -74.77 -40.52 46.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.496 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.611 ' HG2' ' HA ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -76.08 25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 72.0 m-20 -147.52 7.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.57 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 92.7 m-70 -151.02 -21.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.544 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 6.2 m-85 -114.66 106.48 52.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.62 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.769 2.313 . . . . 0.0 112.033 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -135.03 158.18 45.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.8 p -129.53 162.34 28.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 51.6 m -161.44 97.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.4 t -75.71 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.569 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 46.7 m-85 -120.23 124.35 45.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.72 84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.62 ' NZ ' ' HD1' ' A' ' 79' ' ' HIS . 43.2 pttt -123.79 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.543 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.6 t -107.61 115.4 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 148' ' ' ILE . 1.2 tp -91.14 104.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 46.65 54.18 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.17 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -53.79 129.78 34.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.709 ' O ' ' HB ' ' A' ' 181' ' ' ILE . 4.2 mt-30 -85.76 150.48 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.375 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.4 t -155.24 146.16 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.716 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.52 110.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.569 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 81.5 mt -98.06 117.08 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.89 115.98 27.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.276 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 32.2 m -106.11 135.43 47.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.244 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.59 ' OE2' ' O ' ' A' ' 173' ' ' TRP . 10.1 tp10 -131.3 151.9 51.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 0.0 111.017 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.732 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.93 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.247 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.56 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 26.4 p80 -140.62 170.63 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.944 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.7 mm-40 -148.67 77.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -65.43 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.976 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.635 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 5.7 tp-100 -167.98 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.686 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.0 Cg_exo -60.7 -52.07 4.19 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.817 2.344 . . . . 0.0 112.137 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -43.93 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 165' ' ' PRO . 13.1 m120 -121.94 -10.42 8.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.821 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.06 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.821 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.4 p-90 158.74 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.702 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.09 29.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 42.8 ttm180 -165.69 136.64 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.337 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' TRP . . . . . 0.732 ' N ' ' O ' ' A' ' 160' ' ' SER . 10.9 t-105 -107.55 138.96 42.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.574 HH21 ' NE2' ' A' ' 61' ' ' GLN . 94.8 mtt180 -125.39 152.25 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.225 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.3 111.11 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 111.037 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.704 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 78.7 tt0 -116.44 124.65 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.106 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.556 ' CD2' ' HB3' ' A' ' 190' ' ' ALA . 47.5 m95 -120.56 116.91 26.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -98.6 119.83 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.722 ' O ' ' HA ' ' A' ' 153' ' ' THR . 1.8 t80 -117.49 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.681 ' O ' ' O ' ' A' ' 179' ' ' PHE . 3.0 m -50.04 -131.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . 0.709 ' HB ' ' O ' ' A' ' 152' ' ' GLN . 0.3 OUTLIER -164.26 151.38 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.922 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 1.018 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 85.0 Cg_exo -34.32 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.463 2.776 . . . . 0.0 112.696 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.922 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.4 Cg_endo -79.84 -4.35 13.34 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.828 2.352 . . . . 0.0 112.118 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' THR . . . . . 1.021 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.35 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 1.108 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.85 131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.918 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 1.04 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 77.7 mt-30 -106.78 -115.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.243 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.767 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.4 t 145.68 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.674 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.87 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.376 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.704 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.6 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 3.7 p -165.74 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.549 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . 0.651 ' N ' ' CD2' ' A' ' 192' ' ' LEU . 2.1 mm? -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . 0.481 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 12.4 mttp -150.37 147.78 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.759 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . 0.505 ' CG2' ' HB3' ' A' ' 208' ' ' SER . 1.9 tp -149.41 134.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.252 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.422 ' H ' HD13 ' A' ' 194' ' ' ILE . 64.8 tt0 -142.35 130.32 21.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.947 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.7 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 46.8 t -132.67 136.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.131 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . 0.773 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 7.9 t60 -126.51 141.64 51.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.3 t80 -145.61 87.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.584 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.09 87.77 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' GLU . . . . . 0.792 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.6 tt0 -129.49 52.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.287 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . 0.792 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 86.4 m-20 114.85 2.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.64 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' B' ' 314' ' ' ARG . 15.6 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.649 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.05 129.18 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.543 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' GLN . . . . . 0.7 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 33.2 mt-30 -136.75 154.13 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 7.7 tt -122.28 87.24 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 88.2 t -90.05 122.22 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.374 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.85 ' OG ' ' HA ' ' B' ' 487' ' ' MET . 0.1 OUTLIER -149.57 147.21 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.819 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . 0.475 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 31.1 p80 -157.83 145.11 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 55.1 tttp -135.5 129.12 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.2 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.229 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.14 154.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 213' ' ' GLN . 1.1 pm0 -150.22 102.56 3.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' ASP . . . . . 0.599 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 96.5 m-20 -118.82 166.08 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' SER . . . . . 1.04 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 28.7 p -117.79 103.43 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' VAL . . . . . 1.108 ' O ' ' O ' ' A' ' 186' ' ' ALA . 78.7 t -91.96 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . 1.021 ' HA ' ' O ' ' A' ' 185' ' ' THR . 76.7 mt-30 -102.65 128.05 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.568 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 1.018 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 70.6 t -85.97 137.48 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.664 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.9 t -131.02 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 1.9 t -100.29 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 224' ' ' THR . 66.8 t0 -86.82 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.03 -24.81 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -73.92 -56.74 4.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.585 ' OG1' ' CZ ' ' A' ' 228' ' ' PHE . 14.8 t -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.56 -57.12 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.1 -30.53 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -67.62 -38.72 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.43 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . 0.585 ' CZ ' ' OG1' ' A' ' 224' ' ' THR . 22.5 m-85 -67.77 -53.91 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.389 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.9 mm -52.17 -27.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.395 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.8 -36.77 62.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 1.3 mp -67.49 -41.19 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 177' ' ' TRP . 49.5 mt -70.15 -44.41 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.14 -47.0 82.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -69.58 -43.93 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.471 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.91 61.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.15 -44.17 95.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' ASN . . . . . 0.587 HD22 ' CD1' ' B' ' 546' ' ' ILE . 0.8 OUTLIER -60.03 -40.19 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.8 -34.34 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -68.48 -44.38 74.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -68.17 -39.02 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 84.2 m -61.41 -45.79 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.68 71.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 53.6 mt -69.16 -47.48 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.73 -34.18 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . 0.482 ' OE2' ' CE1' ' C' ' 677' ' ' TYR . 85.0 tt0 -66.89 -42.95 84.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.15 -34.57 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' TYR . . . . . 0.532 ' OH ' ' OG1' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.95 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -73.25 -50.85 20.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 253' ' ' THR . 15.3 m -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 33.9 mtt -72.94 -14.45 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.5 p -113.01 -10.08 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 66.4 t0 -132.12 47.75 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.563 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.1 m 175.69 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' THR . . . . . 0.463 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 9.0 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' PHE . . . . . 0.561 ' CE2' ' CZ ' ' B' ' 525' ' ' ARG . 48.0 t80 -47.62 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.18 -11.82 34.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.23 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' ARG . . . . . 0.747 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.4 ttt180 -98.59 174.51 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.47 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' ARG . . . . . 0.747 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 31.8 mtp180 -109.24 153.18 24.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . 0.656 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 97.8 mt-30 -83.67 -11.27 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 5.7 mt -163.62 133.29 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' PRO . . . . . 0.715 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 78.8 Cg_exo -43.91 135.43 7.71 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.927 2.418 . . . . 0.0 112.063 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 263' ' ' PRO . 3.7 m -37.85 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' THR . . . . . 0.411 ' N ' ' CG2' ' A' ' 264' ' ' VAL . 72.1 p -64.24 -5.36 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 38.0 ttm180 54.16 55.54 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.8 t 173.28 114.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 64.1 mttp -16.87 131.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' ILE . . . . . 0.424 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 10.9 tt -50.32 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 96.8 m-20 -117.11 58.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' TRP . . . . . 0.604 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.6 m95 -21.41 -55.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 270' ' ' ASP . 24.3 t-20 -44.58 -25.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . 1.217 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 70.0 mmtt -99.96 -7.69 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.586 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' ILE . . . . . 0.604 ' N ' ' O ' ' A' ' 271' ' ' TRP . 1.7 mp -103.21 -1.17 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 73.4 mt -111.14 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' SER . . . . . 1.295 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.9 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 1.217 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.8 t80 -31.07 43.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.621 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' LYS . . . . . 1.295 ' N ' ' O ' ' A' ' 276' ' ' SER . 27.8 mmtp -107.64 80.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.592 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.6 mp 54.21 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.66 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.547 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 22.7 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -42.73 -51.27 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.31 -34.15 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.7 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.478 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.19 -40.65 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.82 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 308' ' ' CYS . . . . . 0.42 ' SG ' ' CD1' ' A' ' 38' ' ' LEU . 84.4 m -68.09 -37.2 80.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.355 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.12 96.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.35 -38.41 84.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -68.28 -33.65 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.379 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.84 -43.71 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.361 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 95.4 mmm -64.37 -25.67 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . 0.525 ' O ' ' ND2' ' A' ' 203' ' ' ASN . 5.3 mpt_? -82.23 -12.37 58.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 315' ' ' ARG . . . . . 0.631 HH11 ' HG2' ' B' ' 315' ' ' ARG . 0.0 OUTLIER -100.08 -46.91 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 147.73 95.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.59 128.41 20.86 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.818 2.345 . . . . 0.0 112.029 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -71.5 -4.02 14.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.846 2.364 . . . . 0.0 112.047 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -80.58 -17.82 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.92 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.39 -40.9 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -59.73 -60.8 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -54.65 -54.36 42.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.515 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.67 -55.81 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 3.9 tt -47.14 -48.93 23.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.436 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.6 t -57.04 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.3 -40.76 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.508 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 60.0 tp -55.51 -41.01 72.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.48 -41.17 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.397 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -57.82 -37.99 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.397 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.23 -29.06 64.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.467 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.1 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.709 2.273 . . . . 0.0 112.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.29 -6.51 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.6 mt -119.0 20.87 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.11 -55.89 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.26 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' ASP . . . . . 0.447 ' O ' ' OG ' ' B' ' 342' ' ' SER . 94.6 m-20 -58.73 -36.12 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . 0.481 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.8 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' LEU . . . . . 0.642 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 45.4 mt -81.5 12.39 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.0 p -144.06 -3.78 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' B' ' 338' ' ' ASP . 5.5 m -119.32 -15.5 9.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 96.7 t -105.86 120.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -87.87 128.61 35.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.26 165.95 28.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.43 125.25 5.84 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.873 2.382 . . . . 0.0 112.104 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.72 122.51 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.663 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' LYS . . . . . 0.464 ' O ' HD11 ' B' ' 361' ' ' LEU . 14.1 mptt -88.65 148.83 23.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.397 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.8 tt -102.96 136.39 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.744 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' ALA . . . . . 0.724 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.63 157.66 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -114.31 143.31 45.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 63.8 t0 -111.91 81.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.415 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.6 mttt -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.49 -52.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 6.4 t -92.97 -25.42 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.15 24.68 70.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 352' ' ' ASP . 41.4 mmtm -115.1 154.86 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.6 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' ASP . . . . . 0.724 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.1 m-20 -94.77 143.09 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . 0.692 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 44.4 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.19 156.64 38.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.464 HD11 ' O ' ' B' ' 348' ' ' LYS . 4.8 mp -108.53 158.58 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 362' ' ' CYS . . . . . 0.443 ' O ' ' OD1' ' B' ' 365' ' ' ASN . 25.3 p -168.26 168.65 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' ASP . . . . . 0.642 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.49 -10.3 59.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.34 -18.22 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.489 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 365' ' ' ASN . . . . . 0.461 HD22 ' HA ' ' B' ' 361' ' ' LEU . 41.9 p-10 -123.23 24.75 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 366' ' ' ARG . . . . . 0.445 ' CZ ' ' OH ' ' B' ' 371' ' ' TYR . 58.5 ttt180 -119.96 129.85 54.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -122.19 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.05 -98.74 1.74 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.33 8.77 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 370' ' ' SER . . . . . 0.977 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 3.6 m -122.4 161.35 23.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 371' ' ' TYR . . . . . 1.107 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.4 m-85 -118.29 150.75 38.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.573 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . 0.764 ' NH1' ' O ' ' B' ' 387' ' ' ALA . 2.1 ttm-85 -98.72 124.74 43.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.645 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 373' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 78.8 p -79.62 133.76 58.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.778 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.89 -14.77 19.15 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.869 2.379 . . . . 0.0 112.21 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -85.87 -66.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.1 p -83.17 -18.6 38.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 377' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' B' ' 373' ' ' SER . 22.9 t30 70.3 40.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -141.53 137.84 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 379' ' ' TYR . . . . . 1.107 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.69 140.43 58.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.749 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.98 -60.41 6.19 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.387 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 0.977 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 31.4 Cg_exo -65.42 120.0 7.13 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.962 2.442 . . . . 0.0 112.323 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -41.5 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.014 2.476 . . . . 0.0 112.276 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.56 177.59 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.516 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -111.66 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -117.0 66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.535 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 386' ' ' GLY . . . . . 0.826 ' HA3' ' CZ ' ' B' ' 379' ' ' TYR . . . -72.23 151.72 47.34 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 387' ' ' ALA . . . . . 0.764 ' O ' ' NH1' ' B' ' 372' ' ' ARG . . . -63.96 127.23 30.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -132.29 148.52 70.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.92 150.77 49.73 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.765 2.31 . . . . 0.0 112.152 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.75 142.92 17.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.83 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -67.79 -37.9 82.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.84 -42.44 70.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.536 ' NE ' ' ND2' ' B' ' 377' ' ' ASN . 42.6 ttm180 -55.33 -36.77 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.395 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -63.55 -46.56 85.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.353 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.39 -31.96 73.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 401' ' ' ASN . 81.1 tt0 -67.86 -38.05 82.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.05 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.7 -37.05 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.311 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.95 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 401' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 57.4 m-80 -63.94 -39.01 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.363 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.12 -40.42 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.384 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.375 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.3 -29.2 67.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.66 -38.82 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -77.02 -32.98 57.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' TYR . . . . . 0.537 ' OH ' ' NH2' ' A' ' 259' ' ' ARG . 24.6 t80 -69.76 -18.56 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' ARG . . . . . 0.586 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.7 ttp180 -83.89 -35.44 24.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.532 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -85.24 -8.99 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 410' ' ' LEU . . . . . 0.642 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 51.5 mt -95.77 -17.93 20.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 411' ' ' TYR . . . . . 0.715 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.87 -38.04 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 3.0 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 413' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 95.0 mt-10 63.54 24.33 13.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.7 -154.5 25.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' GLY . . . . . 0.586 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.44 -163.49 52.9 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.508 ' HA ' HH11 ' B' ' 408' ' ' ARG . 16.7 t -128.69 153.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 33.7 p -143.6 148.5 35.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 9.4 p -148.17 143.98 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 66.4 t -132.83 130.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.525 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 63.7 m-85 -128.44 132.5 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 11.2 mp -119.69 158.44 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -154.51 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -43.04 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.677 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 424' ' ' LEU . . . . . 0.449 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 55.3 mt -127.89 -147.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 26.1 p-10 -87.29 -49.85 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -129.79 30.79 4.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.64 -135.72 2.58 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.68 154.08 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -124.01 172.84 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.69 35.03 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 431' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.07 126.35 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 110.558 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.32 113.69 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' B' ' 450' ' ' SER . 50.6 mt -102.9 143.22 32.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 434' ' ' ILE . . . . . 0.452 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.74 119.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -122.64 127.49 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 436' ' ' LYS . . . . . 0.561 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.09 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.93 138.13 40.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 439' ' ' ASP . . . . . 0.539 ' OD1' ' NZ ' ' C' ' 611' ' ' LYS . 94.5 m-20 -50.67 128.06 19.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.524 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.73 76.1 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.7 p -110.33 -4.25 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.657 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.543 ' NZ ' ' OE1' ' C' ' 678' ' ' GLU . 41.7 tptt -89.2 153.86 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 443' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' B' ' 442' ' ' LYS . 53.7 mtmt -56.88 -43.82 81.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 444' ' ' ILE . . . . . 0.429 ' H ' ' HG3' ' B' ' 442' ' ' LYS . 54.0 mt -95.13 135.97 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -105.81 154.71 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.42 24.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.45 130.6 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 448' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.6 t-105 -114.78 116.25 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -109.46 127.16 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.289 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 450' ' ' SER . . . . . 0.622 ' HG ' ' NE2' ' B' ' 452' ' ' HIS . 1.8 t -115.93 122.83 46.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 451' ' ' ILE . . . . . 0.452 ' O ' HG23 ' B' ' 472' ' ' THR . 41.6 mt -127.97 100.75 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.222 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 452' ' ' HIS . . . . . 0.622 ' NE2' ' HG ' ' B' ' 450' ' ' SER . 15.3 m-70 -108.64 132.44 53.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.72 95.66 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.216 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.73 153.61 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -131.81 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 16.2 t -79.11 139.62 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -123.49 68.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -40.35 146.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.63 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 459' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' B' ' 461' ' ' SER . 64.4 tttm -109.38 141.95 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.88 -54.21 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 461' ' ' SER . . . . . 0.513 ' O ' ' NZ ' ' B' ' 459' ' ' LYS . 78.4 p -126.7 146.55 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 462' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 59.18 -0.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.73 0.3 . . . . 0.0 110.563 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.551 ' H ' ' C ' ' B' ' 462' ' ' GLY . 4.0 t -82.3 123.63 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.74 151.86 33.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -92.93 126.56 38.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.15 139.43 38.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -135.82 86.16 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 470' ' ' THR . . . . . . . . . . . . . 16.3 m -157.84 62.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.029 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 471' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.7 p -64.72 174.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 472' ' ' THR . . . . . 0.452 HG23 ' O ' ' B' ' 451' ' ' ILE . 0.2 OUTLIER -168.79 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 473' ' ' VAL . . . . . 0.487 HG13 ' CZ2' ' B' ' 448' ' ' TRP . 91.9 t -69.72 143.86 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.058 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 474' ' ' MET . . . . . 0.453 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 18.4 ttm -124.85 95.99 4.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.133 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 475' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 46.8 tp -86.68 131.18 34.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 476' ' ' TRP . . . . . 0.442 ' CD1' ' C ' ' B' ' 476' ' ' TRP . 3.6 t-105 -125.26 130.29 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -137.35 124.69 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.742 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 478' ' ' GLN . . . . . 0.489 ' CG ' ' ND2' ' B' ' 488' ' ' ASN . 15.6 tm0? -138.22 158.15 44.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.434 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 479' ' ' THR . . . . . 0.511 ' CG2' ' HB3' ' B' ' 487' ' ' MET . 4.1 t -163.42 127.5 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 480' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.8 m-20 -108.22 73.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 88.4 tttt -107.58 146.68 31.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 482' ' ' THR . . . . . 0.525 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.6 m -57.27 -46.03 83.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.57 -25.31 68.68 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.1 p -125.9 14.87 8.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.632 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 486' ' ' THR . . . . . 0.475 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 69.1 p -126.04 114.0 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.513 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 487' ' ' MET . . . . . 0.85 ' HA ' ' OG ' ' A' ' 208' ' ' SER . 11.7 ttt -125.11 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 488' ' ' ASN . . . . . 0.489 ' ND2' ' CG ' ' B' ' 478' ' ' GLN . 33.6 m120 -119.0 124.02 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.608 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 489' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.4 tp -131.69 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.41 -163.82 21.79 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 491' ' ' GLY . . . . . 0.636 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.87 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 492' ' ' SER . . . . . 0.636 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.0 p 163.25 135.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.48 149.44 30.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 494' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' B' ' 495' ' ' ARG . 5.3 p -127.09 142.87 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.504 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 495' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 494' ' ' THR . 15.0 mmt180 -149.95 128.73 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.666 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.88 160.53 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 16.3 tpp -160.03 130.49 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 498' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.9 pm0 -133.53 141.55 47.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -172.2 145.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.9 p-10 -91.2 125.21 35.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -120.72 160.17 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 67.6 p -94.27 131.9 39.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.64 122.38 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 86.7 p -143.01 -177.26 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.94 77.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.58 -19.87 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 22.0 t -135.45 73.47 62.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 508' ' ' PRO . . . . . 0.462 ' O ' ' ND2' ' B' ' 512' ' ' ASN . 7.9 Cg_exo -72.54 -172.62 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.851 2.368 . . . . 0.0 112.182 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -58.69 -62.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.9 mt -42.79 -49.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.25 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.626 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 512' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' B' ' 508' ' ' PRO . 77.4 m-20 -62.97 -48.18 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.05 -33.64 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.63 73.76 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.29 -44.33 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.691 0.282 . . . . 0.0 110.731 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.26 -52.45 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.53 -47.15 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -57.91 -51.72 68.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 519' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.7 t0 -63.55 -37.48 87.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 5.3 tpt -64.37 -49.44 71.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 521' ' ' GLU . . . . . 0.402 ' OE1' ' CG2' ' B' ' 473' ' ' VAL . 2.9 tp10 -62.57 -45.35 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.688 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -56.81 -41.54 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -70.59 -38.42 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 524' ' ' ILE . . . . . 0.465 HG23 HD13 ' B' ' 524' ' ' ILE . 27.6 mm -74.48 -24.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 525' ' ' ARG . . . . . 0.561 ' CZ ' ' CE2' ' A' ' 255' ' ' PHE . 1.5 tmt_? -68.71 -27.68 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.3 t -85.01 -38.76 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 71.0 p -66.04 -35.79 81.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.714 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 44.6 mt -64.99 -42.37 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.54 -31.29 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . 0.979 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.2 mt-10 -74.4 -54.43 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -61.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.562 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 532' ' ' TYR . . . . . 0.714 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 15.9 m-85 -50.27 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 533' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.77 40.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.585 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . 0.979 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' B' ' 536' ' ' THR . 31.0 mmtp -56.91 -68.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.557 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.67 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 51.2 p -34.79 -57.98 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.4 -53.28 30.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.17 -44.94 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 34.3 mm -61.74 -36.04 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.46 -41.97 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -69.82 -17.08 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.33 47.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . 0.44 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.13 -51.44 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 544' ' ' ARG . . . . . 0.839 ' HG2' ' H ' ' B' ' 545' ' ' SER . 3.5 tmt_? -141.8 170.12 16.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 545' ' ' SER . . . . . 0.839 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.6 t -142.16 137.86 31.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 546' ' ' ILE . . . . . 0.587 ' CD1' HD22 ' A' ' 237' ' ' ASN . 10.7 tt -69.1 -43.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 547' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 548' ' ' ALA . 67.2 t0 -82.9 138.6 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.614 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 548' ' ' ALA . . . . . 0.535 ' N ' ' OD1' ' B' ' 547' ' ' ASP . . . -52.45 122.12 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' B' ' 551' ' ' ASP . 82.4 mt -79.54 112.75 31.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.2 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.92 2.413 . . . . 0.0 112.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.1 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 552' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' B' ' 550' ' ' PRO . 15.5 m120 -129.9 116.19 18.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.524 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -85.3 -24.79 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 558' ' ' LEU . 64.4 tttm -52.56 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -45.13 -56.69 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 556' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' B' ' 556' ' ' LYS . 4.1 mptp? -57.53 -46.95 83.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.762 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.81 -29.72 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.786 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.3 tp -77.76 -30.37 51.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.54 -36.38 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -58.2 -40.51 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.777 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 561' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.699 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.866 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 50.0 tp -49.1 -40.69 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.6 m -61.21 -76.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.736 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -36.72 -13.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.866 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 22.3 t -72.11 -42.71 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.0 tp -81.45 -35.57 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.612 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.22 -19.65 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -117.51 6.63 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.94 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.851 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.5 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 571' ' ' ILE . . . . . 0.851 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 3.5 mm . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 601' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.1 5.98 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 603' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' C' ' 607' ' ' MET . 10.8 p-10 -49.85 -37.78 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 604' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' C' ' 608' ' ' TRP . 59.0 mttt -69.71 -52.2 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.09 -28.93 56.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -75.64 -53.66 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 607' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' C' ' 603' ' ' ASP . 44.1 mtm -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 608' ' ' TRP . . . . . 0.405 ' N ' ' O ' ' C' ' 604' ' ' LYS . 76.3 t-105 -56.76 -16.02 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 609' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.42 -50.69 13.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.639 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.2 1.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 611' ' ' LYS . . . . . 0.539 ' NZ ' ' OD1' ' B' ' 439' ' ' ASP . 54.0 tttp -102.07 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.4 -4.22 21.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 613' ' ' GLY . . . . . 0.553 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.83 58.53 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 9.6 t0 -63.89 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 615' ' ' LEU . . . . . 0.741 ' O ' HD21 ' C' ' 615' ' ' LEU . 2.7 tm? -44.93 -17.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.71 -27.54 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.536 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 617' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.5 tp10 -81.54 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 8.4 p -62.82 -28.37 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.23 -21.86 66.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 620' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 31.1 t70 -75.4 -45.48 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -60.91 -59.2 5.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.575 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.69 -27.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 623' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.67 -16.8 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.81 -76.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 625' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.88 82.31 0.1 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 626' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.6 pt-20 34.31 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 627' ' ' ASP . . . . . 0.537 ' O ' ' NE ' ' C' ' 630' ' ' ARG . 40.0 m-20 -141.0 62.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 628' ' ' VAL . . . . . 0.52 ' CG2' ' O ' ' C' ' 628' ' ' VAL . 19.9 m -121.97 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 629' ' ' ASN . . . . . 0.454 ' H ' ' HD2' ' C' ' 630' ' ' ARG . 65.0 t30 -173.06 5.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 630' ' ' ARG . . . . . 0.634 HH11 ' CB ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.04 166.82 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 631' ' ' THR . . . . . 0.505 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.07 87.64 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 632' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' C' ' 631' ' ' THR . 16.3 tp -31.28 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.422 ' H ' ' HB3' ' C' ' 632' ' ' LEU . 84.5 tt0 -71.67 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.36 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 635' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.72 0.18 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.9 164.92 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.548 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 637' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.5 mptm? -108.42 156.97 37.69 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.821 2.348 . . . . 0.0 112.138 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 639' ' ' LEU . . . . . 0.457 ' H ' ' C ' ' C' ' 637' ' ' LYS . 0.6 OUTLIER -117.7 -16.32 10.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.502 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.18 -43.86 49.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -71.71 -35.96 70.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.96 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 4.5 t70 -60.63 -35.65 76.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 645' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.2 t -160.92 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.04 34.08 4.47 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 647' ' ' GLN . . . . . 0.583 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 13.9 mm100 51.75 4.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.525 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 648' ' ' LEU . . . . . 0.857 ' N ' HD11 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.59 6.99 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.78 -12.58 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 650' ' ' ILE . . . . . 0.462 ' O ' HD21 ' C' ' 654' ' ' LEU . 1.1 mm -87.53 -36.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.629 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 1.035 ' H ' ' CD1' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 652' ' ' GLU . . . . . 1.006 ' H ' HD23 ' C' ' 651' ' ' LEU . 85.2 tt0 -56.22 -22.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.528 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 653' ' ' PHE . . . . . 0.973 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.89 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 654' ' ' LEU . . . . . 0.657 ' H ' HD21 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.34 6.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.637 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 655' ' ' LEU . . . . . 0.973 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.93 -47.86 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.27 -25.41 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.523 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.78 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 658' ' ' GLY . . . . . 0.4 ' H ' HG23 ' C' ' 628' ' ' VAL . . . -65.3 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 659' ' ' ALA . . . . . 0.74 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.04 33.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 660' ' ' ASP . . . . . 0.472 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.0 m-20 -57.42 10.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 661' ' ' ILE . . . . . 0.74 ' H ' ' C ' ' C' ' 659' ' ' ALA . 8.4 tp -66.01 1.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 662' ' ' ASN . . . . . 1.045 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.61 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 663' ' ' ALA . . . . . 0.771 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.09 -33.67 0.28 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 664' ' ' PRO . . . . . 1.045 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.9 Cg_exo -46.93 120.8 4.43 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.868 2.378 . . . . 0.0 112.095 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -125.9 -50.49 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -78.78 -16.15 57.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 667' ' ' HIS . . . . . 0.484 ' H ' ' HD1' ' C' ' 667' ' ' HIS . 3.7 m80 -80.51 -6.23 57.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.586 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 40.44 37.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 669' ' ' ILE . . . . . 0.408 HD11 ' H ' ' C' ' 670' ' ' THR . 0.3 OUTLIER -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 670' ' ' THR . . . . . 0.408 ' H ' HD11 ' C' ' 669' ' ' ILE . 0.0 OUTLIER -96.24 168.68 10.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 671' ' ' PRO . . . . . 0.518 ' O ' ' OG ' ' C' ' 674' ' ' SER . 51.3 Cg_endo -72.48 -30.48 12.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.785 2.323 . . . . 0.0 112.144 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.38 -49.04 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 673' ' ' LEU . . . . . 0.631 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.4 tp -67.9 -27.77 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 674' ' ' SER . . . . . 0.518 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.2 p -51.81 -40.9 61.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 675' ' ' ALA . . . . . 0.428 ' N ' ' HG ' ' C' ' 674' ' ' SER . . . -74.59 -29.96 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 676' ' ' VAL . . . . . 0.631 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 8.8 t -47.17 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 677' ' ' TYR . . . . . 0.517 ' O ' ' NZ ' ' B' ' 442' ' ' LYS . 25.3 t80 -77.9 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 678' ' ' GLU . . . . . 0.543 ' OE1' ' NZ ' ' B' ' 442' ' ' LYS . 34.2 tp10 -124.5 -28.66 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.44 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 680' ' ' HIS . . . . . 0.912 ' C ' ' H ' ' C' ' 682' ' ' SER . 6.0 m80 -71.97 -53.54 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 681' ' ' VAL . . . . . 0.678 ' O ' HG22 ' C' ' 684' ' ' VAL . 6.7 m 43.31 -5.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 682' ' ' SER . . . . . 0.912 ' H ' ' C ' ' C' ' 680' ' ' HIS . 2.2 m -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.93 -48.72 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 684' ' ' VAL . . . . . 0.678 HG22 ' O ' ' C' ' 681' ' ' VAL . 4.2 m -41.86 -34.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 685' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' C' ' 687' ' ' LEU . 37.9 ttmt -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.91 1.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 687' ' ' LEU . . . . . 0.535 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 7.0 tt -45.73 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 689' ' ' SER . . . . . 0.408 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.2 m -55.8 -21.56 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.539 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -99.65 -6.24 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 692' ' ' ALA . . . . . 0.585 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 90.2 m-20 33.17 -128.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.597 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -152.5 -23.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 695' ' ' THR . . . . . 0.53 ' CG2' ' OG1' ' C' ' 703' ' ' THR . 0.7 OUTLIER -156.61 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.69 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -140.13 23.54 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.8 20.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 699' ' ' PRO . . . . . 0.659 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 77.6 Cg_exo -44.82 -27.77 2.61 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.789 2.326 . . . . 0.0 112.15 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 700' ' ' ASP . . . . . 0.659 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 4.4 m-20 157.79 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 701' ' ' GLY . . . . . 0.572 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.82 0.31 89.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 702' ' ' LEU . . . . . 0.629 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.8 -66.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 703' ' ' THR . . . . . 0.629 ' C ' ' O ' ' C' ' 702' ' ' LEU . 89.6 m 16.17 -95.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 704' ' ' ALA . . . . . 0.454 ' HA ' ' HB1' ' C' ' 707' ' ' ALA . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 705' ' ' LEU . . . . . 0.572 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.5 tt -62.86 -75.52 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.614 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.68 15.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 708' ' ' THR . . . . . 0.453 ' CG2' ' H ' ' C' ' 709' ' ' ASP . 1.1 m -139.82 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 709' ' ' ASP . . . . . 0.453 ' H ' ' CG2' ' C' ' 708' ' ' THR . 53.8 p-10 -148.76 -4.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -72.55 151.84 42.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.55 -20.54 62.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.16 -60.37 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 713' ' ' ILE . . . . . 0.41 HG12 ' H ' ' C' ' 714' ' ' LYS . 0.0 OUTLIER -70.06 -37.64 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.579 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 714' ' ' LYS . . . . . 0.41 ' H ' HG12 ' C' ' 713' ' ' ILE . 81.1 tttt -52.09 -29.9 23.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 715' ' ' ALA . . . . . 0.562 ' O ' ' HG ' ' C' ' 716' ' ' LEU . . . -28.23 14.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 716' ' ' LEU . . . . . 0.792 ' O ' ' CB ' ' C' ' 717' ' ' LEU . 2.0 mp -161.07 98.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 717' ' ' LEU . . . . . 0.792 ' CB ' ' O ' ' C' ' 716' ' ' LEU . 1.1 tt 124.14 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 718' ' ' GLN . . . . . 0.766 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 36.4 tt0 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.596 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 12.0 p -54.1 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.739 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.4 t -45.83 162.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.654 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 43.3 p-10 -64.9 -33.63 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 96.6 mt-10 -60.47 -39.32 87.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.55 -41.03 84.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.7 t -65.26 -43.76 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -61.53 -39.72 92.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -65.44 -47.37 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.89 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 97.0 mttt -65.88 -41.34 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -65.16 -44.81 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.423 HG22 HD13 ' A' ' 21' ' ' ILE . 96.7 mt -66.66 -46.51 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.553 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.536 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 70.3 p -76.03 8.47 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.78 15.4 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.52 146.96 81.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -68.21 167.56 21.68 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.352 . . . . 0.0 112.036 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.02 116.24 4.61 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.751 2.301 . . . . 0.0 112.101 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.45 35.5 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -149.31 37.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 110.516 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 52.6 p90 -73.95 -48.78 28.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 66.5 t30 -57.03 -57.38 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.618 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -44.53 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.82 -42.52 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -59.2 -50.85 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -59.99 -37.98 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.667 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.03 -42.08 97.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 82.7 t -67.05 -41.9 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -56.31 -54.85 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 mt -59.3 -34.79 72.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 mt -73.26 -49.71 26.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 63.3 t30 46.65 49.67 13.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 69.9 m-20 -168.68 79.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -51.87 -37.94 54.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -54.16 -44.18 71.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.29 -30.82 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.76 -38.68 91.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -66.25 -35.5 80.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -41.02 -59.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.87 48.63 0.92 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.13 -56.82 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.56 87.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -54.31 -37.02 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.33 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.502 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 32.6 m-85 -46.59 -56.57 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.66 -72.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 87.0 mt-30 -33.65 -45.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.03 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -47.0 -30.88 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.552 ' C ' ' H ' ' A' ' 61' ' ' GLN . 76.4 mtp -68.89 -66.54 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 174' ' ' ARG . 98.0 m-20 -67.91 10.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 63' ' ' THR . 15.6 mm100 -124.56 24.79 7.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.6 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 77.8 m-85 23.83 44.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.0 m -58.83 111.34 3.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.7 Cg_exo -75.65 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.874 2.382 . . . . 0.0 112.219 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 10.3 p -109.41 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.474 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 34.9 pttt -125.16 103.96 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.665 ' O ' ' C ' ' A' ' 68' ' ' GLU . 48.0 mt -51.52 148.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 67' ' ' ILE . 84.0 tt0 -13.22 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.793 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.9 m-85 -137.47 14.71 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.627 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 4.7 p-10 20.2 39.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 1.074 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.2 t0 -98.78 19.41 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 87.0 mm-40 -0.22 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.074 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.92 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.532 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 9.9 mp -113.34 152.38 30.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 95.8 mt -104.14 105.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.2 p -130.13 -176.95 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.8 -31.26 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -64.0 -23.64 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.522 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.15 15.68 50.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -85.53 100.02 11.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.8 0.333 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp -49.61 -51.55 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.73 25.38 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.79 9.34 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.599 ' NH2' ' O ' ' A' ' 107' ' ' ASP . 29.8 mtp180 -108.35 168.7 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.519 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.9 m-85 -114.51 -170.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -118.3 157.38 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.687 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 18.5 t0 -139.33 89.03 12.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.562 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 23.5 Cg_exo -61.01 -36.69 81.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.852 2.368 . . . . 0.0 111.995 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.561 HH22 ' HG ' ' A' ' 141' ' ' CYS . 11.3 tpp180 -59.43 -75.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -76.43 -20.4 57.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.687 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 62.0 mttm 62.76 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.469 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 15.4 tt -146.5 154.43 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.567 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.818 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.8 t -92.65 133.02 36.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 37.7 p90 -140.11 136.61 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.439 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.7 tttt -88.62 113.38 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.845 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 48.6 t80 -82.71 133.11 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.676 ' H ' ' HB3' ' A' ' 105' ' ' ALA . 31.1 t0 -104.6 90.16 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.697 ' H ' ' CD2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -36.38 -67.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.593 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 69.4 mt -47.41 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.0 tpp180 -52.75 156.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -88.88 2.35 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -117.27 150.22 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.845 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.5 m -95.53 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.599 ' O ' ' NH2' ' A' ' 86' ' ' ARG . 1.3 m-20 73.75 54.51 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.818 ' CA ' ' O ' ' A' ' 95' ' ' SER . 57.2 Cg_endo -73.5 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.839 2.36 . . . . 0.0 112.069 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.815 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.2 tt0 -160.15 124.57 2.1 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -47.2 131.0 17.55 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.841 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -122.91 102.52 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.0 p-10 -75.5 88.45 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.98 164.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.02 -30.07 58.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 71.94 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.74 -59.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.11 3.34 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' GLN . 37.9 ttpt -53.98 -41.91 68.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.462 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER -39.21 -55.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -62.58 -47.59 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.746 HH21 ' H ' ' A' ' 145' ' ' GLY . 22.0 ttm180 -53.89 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.655 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 35.4 t70 -25.44 -45.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.91 -67.25 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 6.3 t -51.1 -48.55 61.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.612 ' CG ' ' HB ' ' A' ' 143' ' ' VAL . 0.9 OUTLIER -40.47 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 27.0 m -48.04 -46.15 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.449 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.28 -51.49 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.82 -12.23 60.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.471 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' ' 126' ' ' SER . 13.5 tpt180 -66.39 -32.78 74.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.555 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 18.5 t80 -54.73 -38.79 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 134' ' ' ASP . 19.2 m -74.75 -40.52 46.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 61.9 mttm -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.57 7.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.544 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.495 ' CD2' ' O ' ' A' ' 134' ' ' ASP . 38.6 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.451 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 44.5 m-85 -114.67 106.45 52.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.55 -57.17 2.34 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.764 2.31 . . . . 0.0 112.072 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -127.55 50.06 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.57 ' CA ' ' HG ' ' A' ' 160' ' ' SER . . . -108.82 163.64 12.64 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -135.09 158.15 45.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.628 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.561 ' HG ' HH22 ' A' ' 91' ' ' ARG . 2.9 p -129.54 162.25 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.546 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 24.9 m -161.38 97.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.612 ' HB ' ' CG ' ' A' ' 125' ' ' ASP . 49.3 t -75.75 143.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.546 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 37.2 m-85 -120.21 124.29 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.542 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.746 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.77 84.53 0.37 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -123.76 167.37 14.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.56 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.0 p -107.55 115.38 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.504 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 2.9 tt -91.16 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 46.62 54.22 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.91 -62.84 4.16 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -53.8 129.83 34.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.661 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.552 ' H ' HG21 ' A' ' 181' ' ' ILE . 71.5 mt-30 -85.82 150.52 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.3 t -155.25 146.13 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 12.9 mm -108.48 110.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.443 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 77.1 mt -98.12 117.08 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.89 116.07 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 37.5 m -106.16 135.44 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 4.8 mp -122.76 137.71 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.188 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 14.7 tm-20 -131.3 151.96 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.396 . . . . 0.0 111.008 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.94 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 16.6 p-80 -140.71 170.61 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.0 mm-40 -148.62 77.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.237 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -65.35 147.44 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.439 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.2 tm0? -167.96 66.05 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.8 Cg_endo -60.72 -52.13 4.11 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.786 2.324 . . . . 0.0 112.109 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -43.83 -8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.418 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 8.5 m120 -121.89 -10.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.83 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.12 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.83 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.6 p-90 158.77 127.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.0 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.348 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.84 163.14 29.04 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.75 136.64 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' TRP . . . . . 0.733 ' N ' ' O ' ' A' ' 160' ' ' SER . 7.1 t-105 -107.55 138.89 42.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 60' ' ' ASP . 53.3 mtp180 -125.36 152.3 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.21 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -166.31 111.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.913 0.387 . . . . 0.0 111.025 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.733 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 85.4 tt0 -116.39 124.69 50.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.124 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.55 ' CD2' ' HB1' ' A' ' 190' ' ' ALA . 44.9 m95 -120.59 116.94 26.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.913 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 176' ' ' GLU . 67.6 mttm -98.58 119.83 37.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.412 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.722 ' O ' ' HA ' ' A' ' 153' ' ' THR . 3.0 t80 -117.46 88.58 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.743 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.678 ' O ' ' O ' ' A' ' 179' ' ' PHE . 2.9 t -50.05 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . 0.72 ' O ' ' OG1' ' A' ' 182' ' ' THR . 0.0 OUTLIER -164.31 151.33 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.687 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.918 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.76 61.41 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.472 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 1.04 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 83.9 Cg_exo -34.36 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.434 2.756 . . . . 0.0 112.688 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.918 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.8 Cg_endo -79.87 -4.35 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.876 2.384 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' THR . . . . . 1.039 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.6 OUTLIER 159.36 -18.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.24 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 1.108 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.8 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.942 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 1.068 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.3 mt-30 -106.75 -115.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.223 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.774 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.5 t 145.66 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.774 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.37 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 3.8 p -165.78 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.535 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . 0.583 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 6.7 mp -85.6 157.86 20.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 30.5 mttt -150.32 147.83 28.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . 0.458 ' CD1' ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -149.49 134.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.306 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.458 ' N ' ' CD1' ' A' ' 194' ' ' ILE . 89.0 mt-30 -142.37 130.28 21.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.911 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 2.9 t -132.7 136.61 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.169 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . 0.771 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 8.9 t-80 -126.5 141.56 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.945 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' TYR . . . . . 0.604 ' O ' ' CD2' ' A' ' 198' ' ' TYR . 61.4 t80 -145.54 87.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.286 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.5 t80 -100.1 87.8 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 61.7 tt0 -129.46 52.14 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.32 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . 0.799 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 59.5 t0 114.87 2.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.407 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.66 -129.11 1.08 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -172.85 99.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.575 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.05 129.13 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.554 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' GLN . . . . . 0.701 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.6 tt0 -136.73 154.12 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . 0.446 ' CD2' ' HH ' ' A' ' 247' ' ' TYR . 12.7 tp -122.24 87.22 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . 0.453 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 13.5 t -90.06 122.22 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.383 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.56 147.19 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.807 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . 0.528 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 33.5 p80 -157.82 145.11 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -135.45 129.04 32.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 44.1 p-10 -103.56 129.85 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.19 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.9 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -150.2 102.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' ASP . . . . . 0.611 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.1 t0 -118.88 166.06 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' SER . . . . . 1.068 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 21.6 p -117.8 103.42 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' VAL . . . . . 1.108 ' O ' ' O ' ' A' ' 186' ' ' ALA . 88.9 t -91.95 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . 1.039 ' HA ' ' O ' ' A' ' 185' ' ' THR . 79.7 mt-30 -102.64 128.06 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 1.04 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 76.6 t -85.98 137.48 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.628 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.5 t -131.04 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 3.0 t -100.23 -163.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' ASP . . . . . 0.517 ' O ' HG21 ' A' ' 224' ' ' THR . 45.1 t0 -86.85 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.11 -24.67 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -74.01 -56.74 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.517 HG21 ' O ' ' A' ' 221' ' ' ASP . 15.2 t -54.66 -36.88 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.58 -57.11 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.447 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -57.1 -30.47 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.62 -38.76 84.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.481 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 4.9 t80 -67.72 -53.91 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.414 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.3 mm -52.17 -27.35 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.366 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -74.85 -36.74 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 231' ' ' ILE . 35.9 mm -67.51 -41.19 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.443 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' ILE . . . . . 0.472 HG12 ' CD2' ' A' ' 177' ' ' TRP . 43.1 mt -70.07 -44.51 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -57.08 -46.97 82.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -69.68 -43.88 71.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.94 61.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' GLU . . . . . 0.565 ' CG ' ' NH1' ' B' ' 544' ' ' ARG . 15.9 tp10 -60.17 -44.1 95.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.03 -40.24 88.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.74 -34.33 73.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.42 -44.48 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -38.98 82.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 78.0 m -61.48 -45.74 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.69 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.17 -47.59 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.63 -34.22 73.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.9 -42.92 84.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.09 -34.66 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 247' ' ' TYR . . . . . 0.596 ' O ' ' OG ' ' A' ' 251' ' ' SER . 3.4 m-85 -64.91 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . 0.555 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 78.0 mt-30 -73.23 -50.86 20.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 249' ' ' THR . . . . . 0.532 ' O ' ' HB ' ' A' ' 253' ' ' THR . 81.5 p -64.75 -34.84 79.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 46.3 mtt -72.92 -14.46 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' SER . . . . . 0.634 ' OG ' ' HB3' ' B' ' 533' ' ' PHE . 1.1 m -113.0 -10.07 13.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 252' ' ' ASP . . . . . 0.786 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 3.0 p30 -132.1 47.72 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 253' ' ' THR . . . . . 0.656 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 8.4 m 175.73 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 254' ' ' THR . . . . . 0.514 ' OG1' ' CD1' ' B' ' 444' ' ' ILE . 9.2 m -53.52 -61.17 2.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 255' ' ' PHE . . . . . 0.539 ' CE1' ' OD1' ' B' ' 529' ' ' ASN . 3.4 t80 -47.74 -57.52 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . 0.723 ' NZ ' ' NE ' ' C' ' 636' ' ' ARG . 6.9 ptmm? -64.17 -11.83 34.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.21 -18.2 30.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 259' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.61 174.45 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 260' ' ' ARG . . . . . 0.525 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 0.7 OUTLIER -109.16 153.19 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -83.72 -11.21 57.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.61 133.27 3.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 263' ' ' PRO . . . . . 0.722 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.91 135.4 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.915 2.41 . . . . 0.0 112.056 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 264' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 263' ' ' PRO . 4.4 m -37.75 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 265' ' ' THR . . . . . 0.409 ' N ' ' CG2' ' A' ' 264' ' ' VAL . 82.2 m -64.18 -5.42 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 266' ' ' ARG . . . . . 0.681 ' N ' ' O ' ' A' ' 263' ' ' PRO . 20.8 mmm180 54.13 55.59 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 267' ' ' THR . . . . . 0.638 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.7 m 173.27 114.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.638 ' C ' ' O ' ' A' ' 267' ' ' THR . 68.7 mttm -16.71 131.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 269' ' ' ILE . . . . . . . . . . . . . 2.2 pt -50.34 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . 0.805 ' O ' ' N ' ' A' ' 273' ' ' LYS . 1.0 OUTLIER -117.12 58.57 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 271' ' ' TRP . . . . . 0.616 ' CE2' ' HA3' ' B' ' 514' ' ' GLY . 77.5 m95 -21.52 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . 0.641 ' H ' HD21 ' A' ' 272' ' ' ASN . 1.9 m-80 -44.66 -25.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . 1.226 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 2.5 mptm? -100.0 -7.66 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 274' ' ' ILE . . . . . 0.568 ' N ' ' O ' ' A' ' 271' ' ' TRP . 18.4 mm -103.2 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . 0.722 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 276' ' ' SER . . . . . 1.314 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.3 t 141.95 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.578 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 1.226 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.7 t80 -30.92 43.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 278' ' ' LYS . . . . . 1.314 ' N ' ' O ' ' A' ' 276' ' ' SER . 36.2 tptt -107.66 80.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.631 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.8 mt 54.22 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.65 -135.17 0.0 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.523 -179.848 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 302' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 44.1 t . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -42.8 -51.18 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.32 -34.16 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.464 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 302' ' ' SER . 24.1 mt-30 -60.74 -49.03 79.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.26 -40.63 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.94 -40.84 95.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.353 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 84.4 m -68.07 -37.21 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.358 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . 0.487 ' O ' ' SD ' ' B' ' 313' ' ' MET . . . -64.22 -42.09 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.397 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.31 -38.45 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.385 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.28 -33.66 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.2 tp -68.83 -43.7 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 313' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' B' ' 313' ' ' MET . 0.0 OUTLIER -64.42 -25.55 68.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.434 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.35 -12.31 58.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 315' ' ' ARG . . . . . 0.54 HH11 ' HG2' ' B' ' 315' ' ' ARG . 66.5 mtt-85 -100.06 -46.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.59 147.7 95.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.65 128.45 21.12 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.768 2.312 . . . . 0.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -71.48 -4.05 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.854 2.369 . . . . 0.0 112.06 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -80.53 -17.8 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -123.94 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 63.4 mt -63.4 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.76 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.534 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -54.66 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -54.69 -55.76 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.468 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 4.2 tt -47.14 -48.9 23.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.17 -49.68 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.37 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -62.39 -40.73 97.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.426 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 55.9 tp -55.56 -40.99 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.498 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' ILE . . . . . 0.403 HG23 HD13 ' B' ' 329' ' ' ILE . 96.7 mt -65.48 -41.23 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.74 -37.96 74.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.24 -29.06 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.441 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.55 84.6 9.05 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.456 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.07 -5.59 15.09 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.752 2.301 . . . . 0.0 112.046 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 63.9 m -89.3 -6.46 56.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.458 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.0 mt -119.03 20.84 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.2 p -64.04 -55.95 18.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.564 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 97.6 mt-10 -60.35 -50.4 73.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.535 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.75 -36.13 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 67.9 mt -79.11 -28.62 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.9 mt -81.44 12.36 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 56.3 p -144.09 -3.67 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.7 t -119.41 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 81.5 t -105.86 120.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -87.86 128.64 35.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.23 165.94 28.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 125.31 5.91 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.817 2.345 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.71 122.5 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -88.65 148.8 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.418 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.9 tt -102.95 136.34 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' ALA . . . . . 0.735 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.34 143.35 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.627 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.968 ' O ' ' N ' ' B' ' 356' ' ' GLY . 62.5 t0 -111.9 81.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.7 mttt -37.21 -63.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 66.3 t -39.49 -52.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.1 t -92.97 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.968 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.71 70.47 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.12 154.89 28.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' ASP . . . . . 0.735 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 91.6 m-20 -94.68 143.08 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 39.3 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.25 156.63 38.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.58 ' CD2' ' H ' ' B' ' 362' ' ' CYS . 0.6 OUTLIER -108.57 158.56 17.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 362' ' ' CYS . . . . . 0.58 ' H ' ' CD2' ' B' ' 361' ' ' LEU . 29.5 p -168.23 168.62 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.4 p-10 -75.44 -10.29 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.648 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -88.38 -18.23 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.463 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 365' ' ' ASN . . . . . 0.518 ' OD1' ' SG ' ' B' ' 362' ' ' CYS . 38.3 p-10 -123.16 24.74 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -119.99 129.93 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -122.22 99.53 6.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.08 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.3 8.75 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 370' ' ' SER . . . . . 1.017 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.35 161.36 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 371' ' ' TYR . . . . . 1.105 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.0 OUTLIER -118.32 150.78 38.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . 0.599 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 11.9 ttm180 -98.76 124.75 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 373' ' ' SER . . . . . 0.573 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 10.5 t -79.65 133.81 58.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.89 -14.8 19.16 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.88 2.387 . . . . 0.0 112.216 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -85.9 -66.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 77.8 p -83.14 -18.61 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 377' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' B' ' 373' ' ' SER . 53.3 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -141.6 137.9 32.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 379' ' ' TYR . . . . . 1.105 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 32.6 m-85 -65.7 140.42 58.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.622 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.751 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.97 -60.4 6.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.396 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 1.017 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.2 Cg_exo -65.43 119.97 7.09 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.54 79.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.98 2.453 . . . . 0.0 112.239 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.54 177.55 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . 0.576 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 98.5 mt-10 -111.64 -72.16 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -116.99 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.15 151.74 47.49 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 387' ' ' ALA . . . . . 0.556 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.96 127.27 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.628 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.3 ptp -132.31 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.87 150.75 49.96 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.797 2.331 . . . . 0.0 112.18 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.2 m -52.76 142.96 17.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.61 -43.79 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -67.91 -37.81 82.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -55.35 -36.79 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -63.53 -46.59 85.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.33 -32.03 73.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.319 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -67.79 -38.08 82.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.02 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.78 -36.97 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.332 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.92 94.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.411 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 401' ' ' ASN . 55.7 t-20 -63.94 -39.05 93.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.345 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.08 -40.36 68.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.04 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.25 -29.28 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.453 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 405' ' ' ASP . 65.4 t0 -54.61 -38.86 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -77.06 -32.9 57.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.78 -18.63 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 408' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 9.7 ptt180 -83.79 -35.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 409' ' ' ASP . . . . . 0.467 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 95.6 m-20 -85.14 -8.93 58.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.595 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 410' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 52.0 mt -95.84 -17.96 20.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 411' ' ' TYR . . . . . 0.722 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.86 -38.06 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 68.4 m-85 -100.6 -25.95 13.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 413' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.0 mt-10 63.55 24.32 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.75 -154.46 25.42 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.37 -163.44 52.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 19.5 t -128.71 153.72 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 38.4 t -143.6 148.48 35.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 23.3 m -148.21 143.95 27.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.88 130.24 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.533 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.7 m-85 -128.4 132.42 48.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 11.2 mp -119.66 158.43 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.708 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 422' ' ' TRP . . . . . 0.576 ' CD1' ' N ' ' B' ' 422' ' ' TRP . 2.7 p-90 -154.51 110.55 3.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -43.03 159.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 424' ' ' LEU . . . . . 0.485 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.0 tp -127.85 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . 0.485 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 68.0 t0 -87.32 -49.84 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -129.8 30.71 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.65 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . 0.479 ' CB ' ' CE2' ' B' ' 422' ' ' TRP . . . -124.01 172.87 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.15 161.67 35.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 431' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.08 126.41 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.508 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.5 mp -103.32 113.64 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.604 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' B' ' 450' ' ' SER . 47.9 mt -102.88 143.19 32.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 434' ' ' ILE . . . . . 0.467 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.68 119.88 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -122.57 127.51 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 436' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.14 119.59 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.21 40.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.627 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.15 179.48 45.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.68 128.07 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.879 0.371 . . . . 0.0 110.522 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.83 75.75 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 89.0 p -110.42 -4.27 15.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 0.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.499 ' HZ1' ' HB3' ' C' ' 645' ' ' CYS . 55.1 mmtt -89.14 153.91 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -56.91 -43.8 81.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 444' ' ' ILE . . . . . 0.514 ' CD1' ' OG1' ' A' ' 254' ' ' THR . 9.5 pt -95.15 135.95 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -105.77 154.71 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.74 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 76.5 m -149.47 130.65 14.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 448' ' ' TRP . . . . . 0.511 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.4 t-105 -114.81 116.23 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -109.47 127.24 54.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.234 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 450' ' ' SER . . . . . 0.467 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.94 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.945 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 451' ' ' ILE . . . . . 0.451 ' O ' HG22 ' B' ' 472' ' ' THR . 45.4 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.254 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 452' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.2 m-70 -108.67 132.41 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.82 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 78.0 t -128.71 95.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.22 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.9 p -96.7 153.59 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -131.82 102.25 5.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.338 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 63.3 t -79.08 139.64 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -123.52 68.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.447 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -40.28 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.632 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 459' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' B' ' 464' ' ' THR . 88.3 tttt -109.35 142.01 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.04 -54.09 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.77 146.52 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 462' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.36 -12.75 47.88 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 463' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 463' ' ' ARG . 69.4 mtm-85 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.547 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.8 t -82.28 123.64 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.71 151.86 32.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -92.96 126.57 38.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -103.14 139.49 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.89 86.12 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 469' ' ' LEU . . . . . 0.562 ' CD1' ' H ' ' B' ' 470' ' ' THR . 29.4 tp -82.13 157.56 24.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 470' ' ' THR . . . . . 0.562 ' H ' ' CD1' ' B' ' 469' ' ' LEU . 80.7 m -157.84 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.105 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 471' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 64.6 p -64.63 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.092 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 472' ' ' THR . . . . . 0.451 HG22 ' O ' ' B' ' 451' ' ' ILE . 0.2 OUTLIER -168.73 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.143 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 473' ' ' VAL . . . . . 0.55 ' O ' ' OG ' ' B' ' 492' ' ' SER . 7.7 p -69.74 143.79 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 474' ' ' MET . . . . . 0.559 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.6 ttt -124.78 96.01 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.166 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 46.1 tp -86.64 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 130.31 51.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 29.4 mt -137.43 124.67 21.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.743 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.19 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 72.8 m -163.44 127.46 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.642 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 480' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.15 73.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttm -107.61 146.68 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 53.0 p -57.28 -46.03 83.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 483' ' ' GLY . . . . . 0.434 ' H ' ' HG2' ' B' ' 481' ' ' LYS . . . -63.55 -25.33 68.66 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 484' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 486' ' ' THR . 34.7 p -125.88 14.83 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 110.607 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.59 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 486' ' ' THR . . . . . 0.528 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 12.6 p -125.97 113.97 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.499 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 22.8 ttp -125.09 118.07 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -118.98 123.98 45.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 489' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.8 tp -131.66 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.87 21.78 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 491' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.67 11.08 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 492' ' ' SER . . . . . 0.559 ' HB2' ' HA ' ' B' ' 474' ' ' MET . 24.7 t 163.27 135.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 493' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' B' ' 493' ' ' LEU . 4.1 mm? -110.59 149.45 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 494' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 56.6 m -127.09 142.84 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -149.91 128.69 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.701 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 496' ' ' GLN . . . . . 0.609 ' N ' ' NE2' ' B' ' 496' ' ' GLN . 1.4 mp0 -92.82 160.59 14.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 27.3 ttt -160.09 130.44 5.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 498' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.6 pm0 -133.53 141.61 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -172.21 145.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.1 p-10 -91.31 125.23 36.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.66 160.18 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.26 131.82 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.62 122.42 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 92.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.94 -35.87 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 506' ' ' SER . . . . . 0.436 ' O ' ' OD1' ' A' ' 272' ' ' ASN . 78.1 p -83.63 -19.81 34.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 18.3 t -135.51 73.45 62.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.54 -172.6 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.8 2.333 . . . . 0.0 112.171 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -58.77 -62.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 67.4 mt -42.77 -48.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.24 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.585 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.97 -48.17 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.06 -33.63 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.599 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 514' ' ' GLY . . . . . 0.616 ' HA3' ' CE2' ' A' ' 271' ' ' TRP . . . -66.71 -46.54 74.6 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -57.38 -44.36 84.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.692 0.282 . . . . 0.0 110.675 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.24 -52.46 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.543 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.45 -47.24 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.621 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -57.87 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 519' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.4 t0 -63.56 -37.43 87.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.739 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.6 tpp -64.44 -49.38 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 521' ' ' GLU . . . . . 0.461 ' O ' HG23 ' B' ' 524' ' ' ILE . 5.4 tp10 -62.61 -45.29 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.705 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 522' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 28.5 t-20 -56.88 -41.44 78.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.58 -38.52 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 524' ' ' ILE . . . . . 0.461 HG23 ' O ' ' B' ' 521' ' ' GLU . 2.4 tp -74.35 -24.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 525' ' ' ARG . . . . . 0.629 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.63 66.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 526' ' ' SER . . . . . 0.547 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.0 t -85.02 -38.77 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.694 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 11.8 m -66.0 -35.77 81.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.751 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 3.0 mm? -65.01 -42.31 94.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' B' ' 525' ' ' ARG . 54.6 m-20 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.645 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . 0.966 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.38 -54.47 7.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 531' ' ' ILE . . . . . 0.47 HG21 HD13 ' B' ' 531' ' ' ILE . 48.8 mm -64.39 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 532' ' ' TYR . . . . . 0.751 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 6.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 533' ' ' PHE . . . . . 0.634 ' HB3' ' OG ' ' A' ' 251' ' ' SER . 0.2 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . 0.966 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.08 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' B' ' 536' ' ' THR . 8.7 ttmm -56.93 -68.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.461 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.6 m -34.73 -58.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -50.37 -53.26 30.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -53.21 -44.93 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.77 -36.06 71.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.42 -42.0 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.71 -17.23 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.39 -27.4 48.28 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . 0.444 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.6 mt -68.07 -51.46 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.747 0.308 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 544' ' ' ARG . . . . . 0.782 ' HG2' ' H ' ' B' ' 545' ' ' SER . 24.4 ttt180 -141.8 170.09 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.697 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 545' ' ' SER . . . . . 0.782 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 11.2 t -142.2 137.87 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 546' ' ' ILE . . . . . 0.403 HG13 ' N ' ' B' ' 547' ' ' ASP . 9.6 pt -69.05 -43.49 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 547' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 547' ' ' ASP . 50.6 p-10 -82.88 138.59 33.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 548' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.06 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 551' ' ' ASP . 18.8 mt -79.44 112.67 30.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.4 Cg_exo -46.48 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.897 2.398 . . . . 0.0 112.077 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.573 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.28 145.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.63 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 552' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 31.5 p30 -129.88 116.19 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.29 -24.8 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.638 ' HG3' ' H ' ' B' ' 555' ' ' TYR . 12.9 ptmt -52.56 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 555' ' ' TYR . . . . . 0.638 ' H ' ' HG3' ' B' ' 554' ' ' LYS . 91.4 t80 -45.16 -56.67 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.53 -46.91 83.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.88 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.8 -30.31 51.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -73.58 -36.39 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -58.15 -40.55 81.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 561' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -67.79 -61.77 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.721 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.878 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 51.9 tp -49.04 -40.67 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.675 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 66.4 m -61.22 -76.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 563' ' ' SER . 99.3 mm-40 -36.78 -13.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.878 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.5 t -72.14 -42.71 67.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 563' ' ' SER . 53.5 mt -81.47 -35.6 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.6 p -70.23 -19.6 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -117.58 6.66 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . 0.946 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 1.0 OUTLIER -160.94 -141.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.946 ' HB3' ' O ' ' B' ' 569' ' ' ARG . 0.0 OUTLIER 139.74 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 571' ' ' ILE . . . . . 0.8 ' CB ' ' O ' ' B' ' 570' ' ' GLN . 3.1 tp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 601' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' C' ' 601' ' ' MET . 4.8 mpp? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.98 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 603' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' C' ' 604' ' ' LYS . 36.2 p-10 -49.76 -37.87 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 604' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' C' ' 603' ' ' ASP . 97.9 mttt -69.73 -52.17 27.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -55.08 -28.95 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -75.68 -53.63 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 607' ' ' MET . . . . . 0.465 ' SD ' ' HG ' ' C' ' 632' ' ' LEU . 9.5 mtt -72.74 -36.83 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -56.82 -15.97 5.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 609' ' ' ALA . . . . . 0.465 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.65 13.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.23 1.97 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 611' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' C' ' 609' ' ' ALA . 87.8 tttt -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.35 -4.24 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 613' ' ' GLY . . . . . 0.58 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.0 21.87 58.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 614' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' C' ' 617' ' ' GLU . 7.4 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.515 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 615' ' ' LEU . . . . . 0.738 HD22 ' O ' ' C' ' 615' ' ' LEU . 2.7 tm? -45.0 -17.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 616' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.9 m-20 -77.68 -27.54 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 617' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' C' ' 614' ' ' ASP . 54.7 mm-40 -81.44 -49.91 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.85 -28.35 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -66.2 -21.86 66.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 620' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -75.38 -45.39 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 621' ' ' TYR . . . . . 0.508 ' CE2' ' OD2' ' C' ' 627' ' ' ASP . 53.1 t80 -60.98 -59.17 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -27.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.561 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 623' ' ' ALA . . . . . . . . . . . . . . . -56.73 -16.76 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.78 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 625' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.89 82.35 0.1 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 626' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' C' ' 625' ' ' GLY . 5.1 pt-20 34.24 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 627' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' C' ' 621' ' ' TYR . 45.7 p30 -141.02 62.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 628' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' C' ' 628' ' ' VAL . 20.1 m -122.0 76.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -173.04 5.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 630' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' C' ' 630' ' ' ARG . 80.0 mtt-85 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 631' ' ' THR . . . . . 0.498 ' O ' ' C ' ' C' ' 632' ' ' LEU . 68.2 p -82.08 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 632' ' ' LEU . . . . . 0.498 ' C ' ' O ' ' C' ' 631' ' ' THR . 15.3 tp -31.3 -88.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.477 ' H ' ' HB3' ' C' ' 632' ' ' LEU . 95.8 mt-10 -71.69 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.65 -11.39 0.07 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 635' ' ' GLY . . . . . 0.528 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 636' ' ' ARG . . . . . 0.723 ' NE ' ' NZ ' ' A' ' 256' ' ' LYS . 19.0 ttm180 -127.88 164.95 21.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 637' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.0 OUTLIER -108.45 157.01 37.64 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.66 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.862 2.374 . . . . 0.0 112.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 639' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.73 -16.31 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 640' ' ' HIS . . . . . 0.549 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 33.4 t-80 -75.21 -43.88 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 641' ' ' TYR . . . . . 0.622 ' CE2' ' NH1' ' C' ' 636' ' ' ARG . 25.6 m-85 -71.7 -36.0 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.483 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 642' ' ' ALA . . . . . 0.669 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -45.01 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.46 62.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 644' ' ' ASP . . . . . 0.549 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 75.3 m-20 -60.6 -35.67 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.532 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 645' ' ' CYS . . . . . 0.499 ' HB3' ' HZ1' ' B' ' 442' ' ' LYS . 2.2 p -160.91 65.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 646' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.05 34.1 4.46 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 647' ' ' GLN . . . . . 0.585 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.9 mt-30 51.68 4.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 648' ' ' LEU . . . . . 0.856 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.59 6.97 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.587 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -115.72 -12.6 11.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 650' ' ' ILE . . . . . 0.459 ' O ' HD23 ' C' ' 654' ' ' LEU . 1.1 mm -87.55 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 1.097 HD23 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.27 -52.96 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 652' ' ' GLU . . . . . 1.097 ' H ' HD23 ' C' ' 651' ' ' LEU . 66.9 mm-40 -56.2 -22.62 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.87 -97.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 654' ' ' LEU . . . . . 0.635 HD23 ' H ' ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.43 6.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 15.5 tp -102.91 -47.94 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.27 -25.38 64.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -72.75 -90.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 658' ' ' GLY . . . . . 0.409 ' H ' HG21 ' C' ' 628' ' ' VAL . . . -65.28 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 659' ' ' ALA . . . . . 0.744 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.506 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 660' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.44 10.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 661' ' ' ILE . . . . . 0.744 ' H ' ' C ' ' C' ' 659' ' ' ALA . 3.1 tp -66.02 1.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 662' ' ' ASN . . . . . 1.062 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.9 p30 -163.65 -18.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 663' ' ' ALA . . . . . 0.77 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.18 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 664' ' ' PRO . . . . . 1.062 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.2 Cg_exo -46.95 120.83 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.902 2.402 . . . . 0.0 112.106 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 665' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 26.9 p-10 -125.93 -50.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 666' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 32.9 ttmt -78.89 -16.11 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 667' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.2 m80 -80.49 -6.25 57.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 16.1 tt -176.91 147.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 670' ' ' THR . . . . . 0.401 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.71 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 671' ' ' PRO . . . . . 0.519 ' O ' ' OG ' ' C' ' 674' ' ' SER . 53.2 Cg_endo -72.52 -30.49 12.18 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.82 2.346 . . . . 0.0 112.11 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . 0.481 ' CD2' ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.32 -49.11 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.517 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 673' ' ' LEU . . . . . 0.617 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.2 mp -67.88 -27.79 66.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.529 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 674' ' ' SER . . . . . 0.6 ' HA ' ' CE2' ' C' ' 677' ' ' TYR . 17.7 p -51.77 -40.9 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 675' ' ' ALA . . . . . 0.507 ' N ' ' HG ' ' C' ' 674' ' ' SER . . . -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 676' ' ' VAL . . . . . 0.617 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.8 t -47.13 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 677' ' ' TYR . . . . . 0.601 ' O ' ' HD1' ' C' ' 677' ' ' TYR . 33.7 p90 -77.89 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 678' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' C' ' 676' ' ' VAL . 33.3 tp10 -124.56 -28.64 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.23 -11.35 72.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 5.9 m-70 -71.9 -53.56 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 681' ' ' VAL . . . . . 0.676 ' O ' HG22 ' C' ' 684' ' ' VAL . 1.4 t 43.28 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.626 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.38 -24.31 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 684' ' ' VAL . . . . . 0.676 HG22 ' O ' ' C' ' 681' ' ' VAL . 2.3 m -41.89 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 685' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' C' ' 687' ' ' LEU . 53.9 tttp -62.55 -73.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 1.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 687' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' C' ' 685' ' ' LYS . 24.0 tp -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.62 -21.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.3 m -55.71 -21.6 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -99.64 -6.24 27.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.76 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 692' ' ' ALA . . . . . 0.538 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.2 18.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 44.2 t0 33.16 -128.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.581 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 694' ' ' LYS . . . . . 0.539 ' H ' ' CG ' ' C' ' 693' ' ' ASP . 62.6 pttt -152.56 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 695' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' C' ' 695' ' ' THR . 8.2 t -156.57 73.48 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.41 -29.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -140.12 23.6 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.74 20.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 699' ' ' PRO . . . . . 0.644 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.76 -27.74 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.813 2.342 . . . . 0.0 112.184 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 700' ' ' ASP . . . . . 0.644 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 3.8 m-20 157.73 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' HB3' ' C' ' 705' ' ' LEU . . . -84.85 0.39 89.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 702' ' ' LEU . . . . . 0.636 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.81 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 703' ' ' THR . . . . . 0.636 ' C ' ' O ' ' C' ' 702' ' ' LEU . 14.5 p 16.23 -95.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 704' ' ' ALA . . . . . 0.454 ' HA ' ' HB1' ' C' ' 707' ' ' ALA . . . -106.63 -18.63 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 705' ' ' LEU . . . . . 0.571 ' HB3' ' O ' ' C' ' 701' ' ' GLY . 2.7 tt -62.88 -75.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.609 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.8 15.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.51 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 54.9 p -139.79 -142.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -148.86 -4.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -72.61 151.82 42.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -71.51 -20.52 62.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.19 -60.39 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.01 -37.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -52.07 -29.89 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.26 14.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 716' ' ' LEU . . . . . 0.808 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 717' ' ' LEU . . . . . 0.808 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 0.8 OUTLIER 124.15 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 718' ' ' GLN . . . . . 0.731 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 4.9 tp-100 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.475 HH11 ' HG2' ' A' ' 7' ' ' ARG . 74.3 mtt-85 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.07 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.782 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.9 p -45.93 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.98 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.57 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.47 -39.33 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -67.57 -40.95 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.634 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -63.69 -35.9 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.22 -43.81 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.52 -39.74 92.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 16' ' ' ILE . 90.5 mt -65.44 -47.36 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.95 75.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.56 75.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.97 -41.34 91.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -65.14 -44.86 87.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.678 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.422 HD11 HG23 ' A' ' 21' ' ' ILE . 96.8 mt -66.66 -46.46 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.544 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 67.0 p -75.99 8.4 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.614 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.71 15.33 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.96 81.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.523 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.21 167.48 21.9 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.844 2.363 . . . . 0.0 112.037 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -70.87 116.15 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.785 2.323 . . . . 0.0 112.153 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.44 35.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.537 ' OE1' ' NH1' ' B' ' 315' ' ' ARG . 42.6 mt-10 -149.27 37.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -73.99 -48.76 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.04 -57.44 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.547 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 41.4 mp0 -44.47 -54.46 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.74 -42.57 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.06 -37.87 81.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.13 -42.03 96.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.2 t -67.07 -41.9 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.611 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.27 -54.86 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.29 -34.78 72.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.26 -49.69 26.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.77 -32.57 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.7 t30 46.56 49.76 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.539 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 28.2 t-20 -168.69 79.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -51.86 -37.89 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -54.18 -44.22 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.8 mt -77.2 -30.86 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.4 tp -62.77 -38.66 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.18 -35.61 80.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.566 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -40.95 -59.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.69 0.92 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.12 -56.81 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.46 87.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.33 -36.97 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.631 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.46 -54.45 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.53 -56.59 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.64 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.4 tp60 -33.6 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -59.99 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -46.97 -30.93 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.549 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.1 ttp -68.9 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.85 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.7 mm-40 -124.56 24.8 7.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.87 44.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.489 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' GLN . 24.1 m -58.8 111.36 3.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.7 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.92 2.413 . . . . 0.0 112.182 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 12.4 p -109.38 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 23.4 ttpp -125.2 103.97 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.526 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.659 ' O ' ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.56 148.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.659 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.535 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.41 75.16 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.788 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.49 14.78 2.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.631 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.606 ' C ' ' O ' ' A' ' 70' ' ' TYR . 31.6 t70 20.17 39.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 1.072 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.4 OUTLIER -98.77 19.39 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.706 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.0 mm100 -0.24 50.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.487 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.072 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.54 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 47.4 mt -113.36 152.31 30.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.426 HD12 HG21 ' A' ' 76' ' ' ILE . 96.4 mt -104.05 105.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.18 -176.91 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.83 -31.27 45.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -64.03 -23.54 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.64 50.51 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.52 100.03 11.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.344 . . . . 0.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -51.48 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.74 25.36 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -116.04 1.19 13.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.825 0.345 . . . . 0.0 110.634 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.23 -15.79 9.3 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' A' ' 107' ' ' ASP . 14.7 mtt-85 -108.4 168.74 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.1 m-85 -114.57 -170.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.9 tp -118.31 157.32 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.692 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.0 t0 -139.29 89.0 12.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.8 Cg_endo -60.96 -36.7 81.77 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.855 2.37 . . . . 0.0 112.022 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -59.47 -75.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.676 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 t-20 -76.53 -20.34 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.51 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.692 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 29.1 mttp 62.77 62.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.518 ' CD1' ' OD1' ' A' ' 92' ' ' ASN . 23.5 pt -146.43 154.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.82 ' O ' ' N ' ' A' ' 109' ' ' GLN . 1.5 t -92.64 132.99 36.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.729 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.8 p90 -140.1 136.68 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.459 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 73.7 tttt -88.73 113.42 24.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.847 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 47.9 t80 -82.71 133.1 35.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.676 ' H ' ' HB2' ' A' ' 105' ' ' ALA . 8.7 t70 -104.51 90.07 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.581 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.565 ' ND1' ' H ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.44 -67.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.0 mp -47.52 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 99' ' ' ASP . 86.7 mtm180 -52.8 156.32 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -88.94 2.37 53.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.847 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.862 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 63.3 m -95.56 -164.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.862 ' OD1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 73.72 54.54 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.81 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.2 Cg_endo -73.53 -177.82 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.801 2.334 . . . . 0.0 112.081 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.0 OUTLIER -160.09 124.56 2.11 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.483 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.18 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.86 2.373 . . . . 0.0 112.04 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -122.87 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -75.52 88.45 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.4 p -46.93 164.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.07 -30.08 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.94 35.62 1.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.5 tp -104.1 3.36 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.734 ' HZ2' HH21 ' A' ' 121' ' ' ARG . 10.6 mmpt? -53.97 -41.89 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 94.9 mt-30 -39.25 -55.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -62.54 -47.62 83.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.734 HH21 ' HZ2' ' A' ' 118' ' ' LYS . 5.5 tmm_? -53.91 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.568 ' C ' ' O ' ' A' ' 121' ' ' ARG . 99.6 m-20 -25.5 -45.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.99 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.413 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.2 t70 -40.38 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 31.6 m -48.02 -46.16 32.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.501 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.32 -51.41 34.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -72.84 -12.25 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.628 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.41 -32.7 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.631 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.611 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.74 -38.8 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.504 ' C ' ' H ' ' A' ' 134' ' ' ASP . 93.8 t -74.72 -40.54 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 49.9 tttm -76.12 25.95 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.631 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.515 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.6 m-20 -147.55 7.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -151.07 -21.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.527 ' OH ' ' CE2' ' A' ' 173' ' ' TRP . 85.5 m-85 -114.66 106.43 52.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.58 -57.19 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.833 2.355 . . . . 0.0 112.045 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -127.57 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.91 163.62 12.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -135.05 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 110.599 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.9 m -161.41 97.37 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 40.8 t -75.73 143.39 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.562 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 54.8 m-85 -120.21 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.73 84.56 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -123.81 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 38.4 t -107.61 115.39 30.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.541 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.499 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 20.5 mt -91.14 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.51 ' O ' ' OD2' ' A' ' 149' ' ' ASP . 4.4 p-10 46.64 54.18 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.73 4.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.78 129.84 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.651 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.61 ' H ' HG23 ' A' ' 181' ' ' ILE . 22.7 mt-30 -85.8 150.47 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.436 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.939 ' OG1' ' HA ' ' A' ' 180' ' ' THR . 99.2 m -155.21 146.23 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.565 ' N ' HG21 ' A' ' 153' ' ' THR . 6.5 mt -108.53 110.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.403 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.562 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 85.5 mt -98.05 117.01 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.83 116.05 27.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 47.1 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.0 mt -122.71 137.69 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.253 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.37 151.91 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.986 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.744 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.91 121.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.673 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.9 p-80 -140.64 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.992 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.6 mm-40 -148.63 77.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.207 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.673 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.4 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.524 ' OE1' ' ND2' ' A' ' 167' ' ' ASN . 1.3 tm0? -167.99 66.01 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.687 ' C ' ' H ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.59 -52.18 4.16 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.839 2.36 . . . . 0.0 112.141 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.459 ' C ' HD21 ' A' ' 167' ' ' ASN . 64.0 mttp -43.85 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.466 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . 0.687 ' H ' ' C ' ' A' ' 165' ' ' PRO . 1.2 m-80 -121.96 -10.5 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.46 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.83 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.4 m-85 70.07 80.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.83 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.7 p-90 158.8 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.96 162.32 33.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.494 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.86 163.15 29.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.579 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.8 ttp180 -165.69 136.7 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' TRP . . . . . 0.744 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.5 t-105 -107.61 138.91 42.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.83 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -125.35 152.27 44.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.179 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.456 ' HB2' ' NE1' ' A' ' 173' ' ' TRP . 1.0 OUTLIER -166.33 111.12 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.058 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.678 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 43.8 tt0 -116.41 124.7 50.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.076 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.673 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.9 m95 -120.59 116.87 26.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.953 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.56 119.8 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.701 ' O ' ' HA ' ' A' ' 153' ' ' THR . 34.9 m-85 -117.48 88.56 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.939 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 16.6 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . 0.687 ' O ' ' OG1' ' A' ' 182' ' ' THR . 9.6 tp -164.31 151.34 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.932 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.48 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 1.084 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 79.7 Cg_exo -34.33 12.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.416 2.744 . . . . 0.0 112.712 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.932 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 61.6 Cg_endo -79.83 -4.29 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.855 2.37 . . . . 0.0 112.153 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' THR . . . . . 1.06 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 1.092 ' HB2' ' C ' ' A' ' 216' ' ' VAL . . . 65.84 131.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.941 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 1.103 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 28.1 mp0 -106.73 -115.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.249 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.847 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.65 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.764 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.8 111.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 176' ' ' GLU . . . -136.49 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.44 ' CG2' ' OD1' ' A' ' 211' ' ' ASP . 3.5 p -165.77 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . 0.707 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 2.4 mp -85.57 157.83 20.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -150.33 147.78 28.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 194' ' ' ILE . 2.3 mt -149.42 134.08 9.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.276 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.34 130.31 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.904 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.69 136.63 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.159 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . 0.775 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.4 t-160 -126.52 141.56 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.927 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.52 87.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.779 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.8 p90 -100.09 87.79 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.8 tt0 -129.46 52.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.334 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.9 m-20 114.82 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.401 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.68 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -172.84 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.02 129.13 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.7 mt-30 -136.73 154.16 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 12.4 tp -122.32 87.16 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.6 t -89.98 122.19 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 53.3 p -149.58 147.2 27.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . 0.461 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 33.8 p80 -157.84 145.13 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.19 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -135.46 129.01 32.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.866 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . 0.44 ' OD1' ' CG2' ' A' ' 191' ' ' VAL . 65.7 m-20 -103.56 129.83 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 2.0 mp -127.13 154.93 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.913 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -150.23 102.67 3.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' ASP . . . . . 0.639 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 35.2 t70 -118.83 166.1 13.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.72 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' SER . . . . . 1.103 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 83.6 p -117.79 103.39 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' VAL . . . . . 1.092 ' C ' ' HB2' ' A' ' 186' ' ' ALA . 2.8 p -91.95 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . 1.06 ' HA ' ' O ' ' A' ' 185' ' ' THR . 84.1 mt-30 -102.68 128.03 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 1.084 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 67.3 t -85.99 137.52 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.615 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.903 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.04 -98.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' SER . . . . . 0.491 ' O ' ' CG2' ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.24 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.3 p-10 -86.82 -62.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.512 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 91.7 t -70.06 -24.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.95 -56.78 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.903 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.8 p -54.59 -36.93 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.431 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.58 -57.05 14.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.465 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.372 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -67.6 -38.8 84.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.414 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -67.73 -53.92 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.19 -27.27 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.573 ' HZ1' HD22 ' A' ' 234' ' ' ASN . 66.2 tttm -74.89 -36.75 62.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.337 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.52 -41.14 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' ILE . . . . . 0.607 ' O ' ' HG2' ' A' ' 236' ' ' GLU . 51.5 mt -70.12 -44.49 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.393 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 234' ' ' ASN . 4.5 tm-20 -57.06 -47.02 81.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.495 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . 0.573 HD22 ' HZ1' ' A' ' 230' ' ' LYS . 99.0 m-20 -69.58 -43.93 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.86 61.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.475 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 232' ' ' ILE . 76.5 mm-40 -60.24 -44.09 95.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' ASN . . . . . 0.54 ' ND2' ' C ' ' A' ' 237' ' ' ASN . 0.3 OUTLIER -60.09 -40.15 88.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.409 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -69.86 -34.22 73.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -68.54 -44.41 74.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -68.14 -39.02 82.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 17.5 p -61.42 -45.79 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . 0.429 HD12 HG21 ' A' ' 243' ' ' ILE . 40.5 mt -69.15 -47.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.552 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 39.0 t -60.66 -34.25 74.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.88 -42.93 84.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . 0.587 HD22 ' CB ' ' B' ' 484' ' ' SER . 51.2 m-20 -62.13 -34.61 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.496 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 247' ' ' TYR . . . . . 0.586 ' CE2' ' NZ ' ' B' ' 537' ' ' LYS . 0.0 OUTLIER -64.92 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.28 -50.85 19.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 249' ' ' THR . . . . . 0.548 ' O ' ' HB ' ' A' ' 253' ' ' THR . 45.7 p -64.76 -34.84 79.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.574 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 250' ' ' MET . . . . . 0.467 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.2 ptp -72.88 -14.43 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.9 p -113.06 -10.06 13.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 252' ' ' ASP . . . . . 0.656 ' O ' ' OG1' ' A' ' 253' ' ' THR . 54.5 t0 -132.16 47.77 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 253' ' ' THR . . . . . 0.656 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.1 m 175.71 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 254' ' ' THR . . . . . 0.482 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 6.8 m -53.48 -61.3 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -47.65 -57.55 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -64.18 -11.76 33.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.23 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 95.4 mt -77.97 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 259' ' ' ARG . . . . . 0.708 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 2.9 ttt180 -98.65 174.47 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 260' ' ' ARG . . . . . 0.708 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 49.1 mtp180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.77 -11.21 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.66 133.27 3.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 263' ' ' PRO . . . . . 0.723 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.94 135.4 7.82 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.92 2.414 . . . . 0.0 112.098 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 264' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 263' ' ' PRO . 10.5 p -37.75 -39.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 63.1 p -64.19 -5.42 4.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 85.6 mtm180 54.18 55.52 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.4 t 173.31 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 63.9 mttp -16.8 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.575 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 269' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.7 OUTLIER -50.37 158.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . 0.81 ' O ' ' N ' ' A' ' 273' ' ' LYS . 84.2 m-20 -117.07 58.52 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 271' ' ' TRP . . . . . 0.61 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.0 m95 -21.44 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.654 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 270' ' ' ASP . 17.4 t-20 -44.6 -25.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . 1.201 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -100.0 -7.7 24.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.601 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 274' ' ' ILE . . . . . 0.61 ' N ' ' O ' ' A' ' 271' ' ' TRP . 58.8 mt -103.12 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.626 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . 0.717 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.7 mt -111.12 44.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 276' ' ' SER . . . . . 1.285 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.8 p 141.93 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 1.201 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.2 t80 -30.97 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 278' ' ' LYS . . . . . 1.285 ' N ' ' O ' ' A' ' 276' ' ' SER . 13.7 mptt -107.71 80.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.573 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 1.076 ' O ' ' O ' ' A' ' 280' ' ' GLY . 17.8 mm 54.26 3.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 1.076 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.58 -135.16 0.0 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.525 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 302' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 28.9 t . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -42.71 -51.27 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -55.33 -34.13 63.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.72 -49.08 78.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.28 -40.6 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 99.2 m -68.2 -37.11 80.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.351 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.34 -38.41 84.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.368 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.29 -33.68 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.364 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.75 -43.77 75.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.2 mmm -64.37 -25.62 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.394 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 315' ' ' ARG . . . . . 0.594 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.6 mtt-85 -100.11 -46.87 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.69 147.73 95.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.618 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.65 128.4 21.03 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.828 2.352 . . . . 0.0 112.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -71.41 -4.09 14.29 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.858 2.372 . . . . 0.0 112.079 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . 0.477 ' NE2' ' CG ' ' B' ' 488' ' ' ASN . 79.2 mt-30 -80.53 -17.81 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -123.96 39.53 3.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.38 -40.89 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 322' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' B' ' 322' ' ' GLU . 3.2 mp0 -59.68 -60.87 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.62 -54.39 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -54.71 -55.77 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.443 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.52 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 43.9 tp -47.12 -48.95 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.422 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.9 t -57.1 -49.68 75.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.33 -40.71 97.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.55 -41.07 72.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.486 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' ILE . . . . . 0.425 HD11 HG23 ' B' ' 329' ' ' ILE . 96.8 mt -65.45 -41.19 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.434 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -57.75 -38.02 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.25 -29.07 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.369 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.15 -5.54 15.04 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.708 2.272 . . . . 0.0 112.056 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 94.1 p -89.36 -6.38 56.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 99.0 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 12.2 t -64.13 -55.85 18.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.35 -50.43 73.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.73 -36.16 73.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.488 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 61.3 mt -79.08 -28.64 43.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.56 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' LEU . . . . . 0.649 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.5 mt -81.49 12.41 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 52.9 p -144.12 -3.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.0 p -119.4 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.83 120.1 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -87.84 128.69 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.52 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.33 165.93 29.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.527 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.52 125.27 5.97 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.794 2.33 . . . . 0.0 112.124 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.63 122.48 17.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -88.64 148.82 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.447 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.9 pt -102.96 136.4 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.725 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' ALA . . . . . 0.733 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.72 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.439 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -114.36 143.29 45.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 68.1 t0 -111.86 81.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.512 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 66.5 mmtt -37.26 -62.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 98.0 t -39.52 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.0 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.17 24.66 70.74 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' B' ' 352' ' ' ASP . 29.2 tptt -115.03 154.88 28.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.598 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' ASP . . . . . 0.733 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 39.3 p30 -94.75 143.05 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . 0.689 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.5 p90 -139.68 135.71 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' LEU . . . . . 0.6 ' H ' ' HG ' ' B' ' 418' ' ' SER . 58.8 mt -69.17 156.61 38.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' B' ' 365' ' ' ASN . 66.9 mt -108.5 158.62 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 362' ' ' CYS . . . . . 0.435 ' O ' ' OD1' ' B' ' 365' ' ' ASN . 24.5 p -168.26 168.62 11.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 363' ' ' ASP . . . . . 0.649 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.8 t70 -75.47 -10.27 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 364' ' ' TYR . . . . . 0.608 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 44.5 m-85 -88.37 -18.18 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 365' ' ' ASN . . . . . 0.486 HD21 ' HH ' ' B' ' 420' ' ' TYR . 35.1 p-10 -123.28 24.82 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 366' ' ' ARG . . . . . 0.432 ' CD ' ' CZ ' ' B' ' 371' ' ' TYR . 30.6 ttp180 -119.93 129.86 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.2 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.02 -98.72 1.74 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.3 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.545 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 370' ' ' SER . . . . . 1.017 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.39 161.31 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 371' ' ' TYR . . . . . 1.08 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.6 m-85 -118.29 150.79 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . 0.586 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.0 ttp180 -98.71 124.69 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 373' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 32.9 t -79.53 133.76 59.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.9 -14.77 19.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.831 2.354 . . . . 0.0 112.223 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 375' ' ' TRP . . . . . 0.537 ' H ' ' HG ' ' B' ' 373' ' ' SER . 54.7 m95 -85.85 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.4 p -83.17 -18.6 38.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 377' ' ' ASN . . . . . 0.638 ' ND2' ' NE ' ' B' ' 394' ' ' ARG . 34.2 t30 70.27 40.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -141.56 137.89 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 379' ' ' TYR . . . . . 1.08 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 35.8 m-85 -65.72 140.47 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.767 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -52.02 -60.42 6.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 1.017 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.7 Cg_exo -65.42 120.03 7.16 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.001 2.467 . . . . 0.0 112.32 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.58 79.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.032 2.488 . . . . 0.0 112.233 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.57 177.55 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.52 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . 0.574 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 97.4 mt-10 -111.66 -72.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -117.01 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.525 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 387' ' ' ALA . . . . . 0.57 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.98 127.26 30.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 0.0 110.632 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.6 mtm -132.23 148.6 70.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.98 150.76 49.34 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.746 2.298 . . . . 0.0 112.17 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 93.8 p -52.72 142.9 17.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -67.92 -37.81 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 52.9 tp -70.82 -42.49 70.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.638 ' NE ' ' ND2' ' B' ' 377' ' ' ASN . 43.4 ttm180 -55.29 -36.84 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -63.53 -46.57 85.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.336 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.37 -32.02 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.549 ' CD ' HH22 ' B' ' 372' ' ' ARG . 43.0 tt0 -67.8 -38.04 82.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.06 -40.28 88.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -37.03 79.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.92 94.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.394 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 401' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.9 -39.07 93.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.367 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -72.13 -40.4 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.97 79.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.33 -29.2 66.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.416 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 23.4 m-20 -54.66 -38.85 67.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -77.03 -32.91 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 407' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 407' ' ' TYR . 2.0 t80 -69.74 -18.62 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 408' ' ' ARG . . . . . 0.563 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.2 OUTLIER -83.84 -35.48 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.547 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 409' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 9.7 t0 -85.2 -8.91 58.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 410' ' ' LEU . . . . . 0.648 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 46.4 mt -95.9 -17.87 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 411' ' ' TYR . . . . . 0.723 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.88 -38.08 3.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.547 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.6 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 63.47 24.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.52 25.5 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 415' ' ' GLY . . . . . 0.563 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.42 -163.49 52.91 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 15.5 t -128.66 153.69 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 19.8 p -143.52 148.52 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.701 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 418' ' ' SER . . . . . 0.6 ' HG ' ' H ' ' B' ' 360' ' ' LEU . 20.3 m -148.22 143.97 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.397 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.83 130.26 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.808 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.537 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.2 m-85 -128.47 132.45 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.69 158.41 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.74 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 422' ' ' TRP . . . . . 0.657 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.6 p90 -154.48 110.53 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -43.01 159.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.633 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 424' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 56.7 mt -127.87 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . 0.438 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 98.0 m-20 -87.34 -49.88 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.74 30.69 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.68 -135.63 2.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . 0.657 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.97 172.8 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . 0.537 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.76 35.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 431' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.4 p -130.13 126.36 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.33 113.67 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.3 mt -102.92 143.13 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 434' ' ' ILE . . . . . 0.452 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.65 119.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -122.56 127.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 436' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.2 tptm -137.17 119.67 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.536 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.17 40.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.12 179.48 45.25 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 439' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' B' ' 442' ' ' LYS . 62.6 m-20 -50.7 128.08 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.02 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 60.0 m -110.34 -4.28 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.618 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' B' ' 439' ' ' ASP . 0.0 OUTLIER -89.15 153.88 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.541 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 443' ' ' LYS . . . . . 0.431 ' HZ1' ' HG3' ' B' ' 443' ' ' LYS . 52.3 mttp -56.91 -43.82 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 444' ' ' ILE . . . . . 0.444 ' O ' ' HD3' ' B' ' 442' ' ' LYS . 12.8 tt -95.11 135.98 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.716 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.81 154.71 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.365 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.45 24.55 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 3.8 t -149.46 130.61 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.229 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 448' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.0 t-105 -114.77 116.25 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 449' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.47 127.19 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 450' ' ' SER . . . . . 0.6 ' OG ' ' CE1' ' B' ' 452' ' ' HIS . 1.2 t -115.89 122.72 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.0 mt -127.9 100.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.198 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 452' ' ' HIS . . . . . 0.6 ' CE1' ' OG ' ' B' ' 450' ' ' SER . 8.8 m-70 -108.71 132.49 53.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.825 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.7 t -128.74 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.74 153.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -131.83 102.24 5.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 67.5 t -79.09 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.52 68.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.386 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -40.3 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 459' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.3 mmtp -109.33 142.04 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 460' ' ' SER . . . . . 0.559 ' HG ' ' N ' ' B' ' 461' ' ' SER . 78.2 p -48.96 -54.21 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 461' ' ' SER . . . . . 0.559 ' N ' ' HG ' ' B' ' 460' ' ' SER . 78.5 p -126.66 146.52 50.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.541 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 462' ' ' GLY . . . . . 0.562 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.31 -12.79 48.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 59.16 -0.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.625 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.58 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.5 t -82.21 123.63 29.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.72 151.9 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.737 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 466' ' ' HIS . . . . . 0.52 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.7 t-160 -92.96 126.54 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -103.16 139.48 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.936 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . 0.4 ' CE ' ' NE2' ' B' ' 496' ' ' GLN . 88.0 tttt -135.84 86.14 2.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 469' ' ' LEU . . . . . 0.559 ' CD1' ' H ' ' B' ' 470' ' ' THR . 34.9 tp -82.12 157.49 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 0.0 111.097 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 470' ' ' THR . . . . . 0.559 ' H ' ' CD1' ' B' ' 469' ' ' LEU . 15.7 m -157.8 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.109 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 471' ' ' SER . . . . . 0.565 ' HG ' ' ND1' ' B' ' 452' ' ' HIS . 49.1 m -64.66 174.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.099 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 472' ' ' THR . . . . . 0.546 ' CG2' ' HG1' ' B' ' 494' ' ' THR . 51.5 m -168.76 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.109 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 473' ' ' VAL . . . . . 0.471 HG13 ' CZ2' ' B' ' 448' ' ' TRP . 85.3 t -69.76 143.83 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 474' ' ' MET . . . . . 0.445 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.2 mtp -124.8 96.03 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.16 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 3.6 tp -86.7 131.19 34.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 476' ' ' TRP . . . . . 0.516 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 50.4 m95 -125.31 130.3 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.215 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 4.7 mp -137.36 124.68 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -138.22 158.1 44.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 3.6 m -163.42 127.48 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 480' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 13.8 m120 -108.16 73.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 481' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' B' ' 485' ' ' GLY . 6.5 mmtt -107.56 146.6 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 20.2 m -57.24 -46.0 83.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.59 -25.3 68.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 484' ' ' SER . . . . . 0.587 ' CB ' HD22 ' A' ' 246' ' ' ASN . 74.3 m -125.89 14.82 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.587 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 485' ' ' GLY . . . . . 0.878 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 486' ' ' THR . . . . . 0.461 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 23.8 p -126.0 113.99 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.342 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 487' ' ' MET . . . . . 0.59 ' O ' ' SD ' ' B' ' 487' ' ' MET . 5.0 ppp? -125.14 118.05 25.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 488' ' ' ASN . . . . . 0.477 ' CG ' ' NE2' ' B' ' 319' ' ' GLN . 34.0 t-20 -118.97 124.01 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 489' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 13.2 tp -131.68 76.69 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.83 21.78 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 491' ' ' GLY . . . . . 0.655 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.81 -142.64 11.08 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 492' ' ' SER . . . . . 0.655 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.5 p 163.25 135.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 494' ' ' THR . . . . . 0.546 ' HG1' ' CG2' ' B' ' 472' ' ' THR . 54.6 m -127.11 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -149.98 128.76 12.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.643 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 496' ' ' GLN . . . . . 0.4 ' NE2' ' CE ' ' B' ' 468' ' ' LYS . 45.9 tt0 -92.81 160.54 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 47.1 ttp -160.05 130.42 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.52 141.62 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.24 145.83 1.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.52 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 56.5 m-20 -91.31 125.21 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 501' ' ' GLU . . . . . 0.424 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.3 tt0 -120.72 160.22 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.6 m -94.3 131.86 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.66 122.37 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.3 p -142.99 -177.25 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.83 -35.91 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.61 -19.88 34.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 14.2 t -135.5 73.48 62.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.59 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.79 2.327 . . . . 0.0 112.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.75 -62.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.81 -49.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.98 -49.23 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 512' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.5 m-20 -62.99 -48.14 80.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.04 -33.67 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.64 -46.63 74.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.29 -44.32 83.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.24 -52.55 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.39 -47.25 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.88 -51.75 68.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.47 -37.59 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 25.1 tpp -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.53 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 522' ' ' ASN . . . . . 0.423 ' ND2' ' OH ' ' B' ' 411' ' ' TYR . 14.2 m120 -56.93 -41.42 78.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.61 -38.49 73.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 93.4 mt -74.45 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 525' ' ' ARG . . . . . 0.439 ' CG ' HH11 ' B' ' 525' ' ' ARG . 1.5 ttt-85 -68.73 -27.59 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -85.07 -38.73 18.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.649 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 13.5 m -66.04 -35.79 81.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 46.4 mt -64.98 -42.38 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . 0.408 ' ND2' ' C ' ' B' ' 529' ' ' ASN . 0.6 OUTLIER -68.53 -31.3 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . 0.959 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.4 -54.45 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 531' ' ' ILE . . . . . 0.428 HG21 HD13 ' B' ' 531' ' ' ILE . 48.8 mm -64.41 -61.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 532' ' ' TYR . . . . . 0.698 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.3 m-85 -50.22 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 533' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.76 40.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . 0.959 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . 0.528 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.3 tptm -56.93 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.546 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.445 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.9 m -34.78 -58.04 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 537' ' ' LYS . . . . . 0.586 ' NZ ' ' CE2' ' A' ' 247' ' ' TYR . 74.7 tttt -50.35 -53.24 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -53.26 -44.94 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.72 -36.05 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.42 -41.93 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -69.87 -17.11 63.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.46 -27.29 48.45 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . 0.441 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.2 -51.45 45.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 544' ' ' ARG . . . . . 0.495 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 8.5 ptm180 -141.78 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.683 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 545' ' ' SER . . . . . . . . . . . . . 35.8 t -142.19 137.91 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 546' ' ' ILE . . . . . 0.479 ' CD1' ' OD1' ' A' ' 237' ' ' ASN . 0.9 OUTLIER -69.1 -43.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -82.86 138.6 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.635 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 548' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.07 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 46.8 mm -79.5 112.75 31.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 550' ' ' PRO . . . . . 0.572 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.8 Cg_exo -46.58 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.867 2.378 . . . . 0.0 112.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.1 p-10 -25.28 145.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -129.91 116.17 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -85.3 -24.75 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 558' ' ' LEU . 64.1 mttp -52.55 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.74 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -57.5 -46.91 83.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.781 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -65.78 -29.7 70.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 554' ' ' LYS . 7.0 mp -77.78 -30.37 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -73.55 -36.37 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.15 -40.56 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.787 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 561' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' B' ' 564' ' ' GLN . 97.2 mt-10 -67.87 -61.72 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.865 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.7 mt -49.03 -40.7 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.721 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 563' ' ' SER . . . . . 0.78 ' O ' ' N ' ' B' ' 565' ' ' VAL . 65.4 m -61.15 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.723 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.4 pt20 -36.74 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.865 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.13 -42.66 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.9 mt -81.5 -35.55 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.27 -19.6 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.58 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -117.53 6.69 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . 0.761 ' O ' ' HB2' ' B' ' 570' ' ' GLN . 21.2 ttm180 -161.02 -141.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.859 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 50.1 tt0 139.8 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 571' ' ' ILE . . . . . 0.859 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 56.7 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 21.5 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 15.0 m 62.12 5.96 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -49.8 -37.83 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.521 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 604' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' C' ' 608' ' ' TRP . 5.0 mtmp? -69.67 -52.19 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -55.16 -28.91 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -75.62 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 607' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' C' ' 641' ' ' TYR . 38.7 ttp -72.79 -36.81 67.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 608' ' ' TRP . . . . . 0.423 ' N ' ' O ' ' C' ' 604' ' ' LYS . 78.1 t90 -56.76 -16.01 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 609' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.63 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.29 1.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 611' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' C' ' 609' ' ' ALA . 7.0 tmtt? -102.08 -66.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 612' ' ' ASN . . . . . 0.622 HD21 ' N ' ' C' ' 612' ' ' ASN . 0.8 OUTLIER -70.36 -4.26 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 613' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.07 21.84 58.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 614' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' C' ' 617' ' ' GLU . 2.6 t70 -63.87 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 110.555 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 615' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' C' ' 613' ' ' GLY . 1.8 pp -44.94 -18.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.584 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 616' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' C' ' 616' ' ' ASP . 5.0 p-10 -77.69 -27.56 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 617' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' C' ' 614' ' ' ASP . 45.7 tp10 -81.55 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.57 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 618' ' ' VAL . . . . . 0.505 ' CG2' ' HA ' ' C' ' 615' ' ' LEU . 1.9 m -62.88 -28.39 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.16 -21.88 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 620' ' ' ASP . . . . . 0.551 ' O ' ' HB1' ' C' ' 623' ' ' ALA . 34.1 t70 -75.39 -45.44 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.96 -59.15 5.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.75 -27.86 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 623' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' C' ' 620' ' ' ASP . . . -56.69 -16.75 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.656 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.78 -76.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.44 0.1 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 80.8 tt0 34.09 95.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 627' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 100.0 m-20 -140.94 62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.639 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 628' ' ' VAL . . . . . . . . . . . . . 4.1 m -121.97 76.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -173.01 5.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.705 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -79.02 166.83 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.535 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 631' ' ' THR . . . . . 0.507 ' O ' ' C ' ' C' ' 632' ' ' LEU . 43.5 p -82.04 87.65 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 632' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' C' ' 631' ' ' THR . 42.1 tp -31.23 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.506 ' OE1' ' NH2' ' C' ' 636' ' ' ARG . 78.0 tt0 -71.69 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.71 -11.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 635' ' ' GLY . . . . . 0.543 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.78 0.18 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 636' ' ' ARG . . . . . 0.506 ' NH2' ' OE1' ' C' ' 633' ' ' GLU . 80.2 mtm180 -127.93 164.88 21.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 637' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.61 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.88 2.387 . . . . 0.0 112.144 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 639' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' C' ' 637' ' ' LYS . 1.1 tp -117.74 -16.3 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 640' ' ' HIS . . . . . 0.542 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 26.9 t-80 -75.29 -43.8 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 641' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' C' ' 607' ' ' MET . 0.9 OUTLIER -71.74 -35.93 70.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 642' ' ' ALA . . . . . 0.679 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.94 -45.0 75.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 644' ' ' ASP . . . . . 0.542 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 88.0 m-20 -60.6 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 645' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 18.9 m -160.88 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 646' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.07 4.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 647' ' ' GLN . . . . . 0.613 ' C ' ' HG ' ' C' ' 648' ' ' LEU . 0.7 OUTLIER 51.71 4.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 110.497 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 648' ' ' LEU . . . . . 0.613 ' HG ' ' C ' ' C' ' 647' ' ' GLN . 1.2 mt 71.65 6.94 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 649' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' C' ' 653' ' ' PHE . 97.5 mt-10 -115.75 -12.56 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 650' ' ' ILE . . . . . 0.42 ' O ' ' HB2' ' C' ' 653' ' ' PHE . 1.3 mm -87.56 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.55 ' O ' ' CB ' ' C' ' 655' ' ' LEU . 1.4 tt -62.29 -52.98 61.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 652' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -56.19 -22.58 30.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 653' ' ' PHE . . . . . 0.974 ' O ' ' N ' ' C' ' 655' ' ' LEU . 4.5 m-85 -75.89 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 654' ' ' LEU . . . . . 0.401 ' N ' HD11 ' C' ' 654' ' ' LEU . 11.0 mp -41.33 6.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.637 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 655' ' ' LEU . . . . . 0.974 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.2 tt -102.97 -47.81 4.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.32 -25.34 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -72.75 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 658' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' C' ' 659' ' ' ALA . . . -65.36 -109.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 659' ' ' ALA . . . . . 0.717 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.37 . . . . 0.0 110.578 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 660' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' C' ' 662' ' ' ASN . 0.9 OUTLIER -57.45 10.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 661' ' ' ILE . . . . . 0.717 ' H ' ' C ' ' C' ' 659' ' ' ALA . 13.1 pt -66.0 1.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 662' ' ' ASN . . . . . 1.063 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 25.2 t-20 -163.68 -18.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 663' ' ' ALA . . . . . 0.763 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.11 -33.67 0.28 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 664' ' ' PRO . . . . . 1.063 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 78.6 Cg_exo -46.96 120.82 4.46 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.829 2.353 . . . . 0.0 112.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -125.9 -50.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.81 -16.17 57.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 667' ' ' HIS . . . . . 0.543 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 39.1 m80 -80.46 -6.32 57.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 668' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' C' ' 668' ' ' HIS . 57.2 t-80 40.6 37.31 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.571 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 5.7 tt -176.93 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 670' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.15 168.7 10.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 671' ' ' PRO . . . . . 0.501 ' O ' ' HB2' ' C' ' 674' ' ' SER . 44.2 Cg_endo -72.51 -30.47 12.25 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.832 2.354 . . . . 0.0 112.147 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . 0.403 ' H ' ' HG ' ' C' ' 672' ' ' LEU . 8.2 mt -45.39 -49.06 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 673' ' ' LEU . . . . . 1.294 ' O ' HG21 ' C' ' 676' ' ' VAL . 43.5 mt -67.87 -27.75 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.585 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 674' ' ' SER . . . . . 0.501 ' HB2' ' O ' ' C' ' 671' ' ' PRO . 25.0 m -51.83 -40.92 61.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 675' ' ' ALA . . . . . . . . . . . . . . . -74.54 -29.96 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.625 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 676' ' ' VAL . . . . . 1.294 HG21 ' O ' ' C' ' 673' ' ' LEU . 22.3 m -47.19 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 677' ' ' TYR . . . . . 0.806 ' H ' ' CG2' ' C' ' 676' ' ' VAL . 39.9 t80 -77.89 39.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 678' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' C' ' 676' ' ' VAL . 29.6 tp10 -124.5 -28.72 3.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.53 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.26 -11.32 72.4 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 2.9 m80 -71.95 -53.57 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.25 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 0.2 OUTLIER -67.39 -24.31 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -48.63 6.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 684' ' ' VAL . . . . . . . . . . . . . 48.5 t -41.91 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 685' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' C' ' 687' ' ' LEU . 65.6 tttm -62.59 -73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.88 1.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 687' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.7 OUTLIER -81.87 -70.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.598 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.65 -21.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 689' ' ' SER . . . . . 0.417 ' N ' ' C ' ' C' ' 687' ' ' LEU . 38.3 t -55.73 -21.61 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -99.63 -6.27 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.505 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 691' ' ' GLY . . . . . 1.086 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.89 0.42 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 692' ' ' ALA . . . . . 0.531 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.17 18.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 693' ' ' ASP . . . . . 1.086 ' N ' ' O ' ' C' ' 691' ' ' GLY . 88.0 m-20 33.2 -128.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 694' ' ' LYS . . . . . 0.502 ' C ' ' HG1' ' C' ' 695' ' ' THR . 62.2 pttt -152.44 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.652 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 695' ' ' THR . . . . . 0.502 ' HG1' ' C ' ' C' ' 694' ' ' LYS . 5.6 m -156.54 73.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 696' ' ' VAL . . . . . 0.45 ' CG1' HD21 ' C' ' 662' ' ' ASN . 14.6 p -93.47 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -140.17 23.53 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.82 20.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 699' ' ' PRO . . . . . 0.635 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 77.8 Cg_exo -44.85 -27.72 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.824 2.349 . . . . 0.0 112.136 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 700' ' ' ASP . . . . . 0.635 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 31.1 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 701' ' ' GLY . . . . . 0.568 ' H ' ' CG ' ' C' ' 700' ' ' ASP . . . -84.84 0.4 89.13 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.1 tt -53.86 -66.65 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.626 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 703' ' ' THR . . . . . 0.647 ' C ' ' O ' ' C' ' 702' ' ' LEU . 81.6 p 16.13 -95.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 704' ' ' ALA . . . . . 0.53 ' HB2' HD11 ' C' ' 713' ' ' ILE . . . -106.64 -18.61 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 705' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.2 tt -62.88 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -80.72 15.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 708' ' ' THR . . . . . 0.494 ' CG2' ' H ' ' C' ' 709' ' ' ASP . 1.5 m -139.83 -142.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.583 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 709' ' ' ASP . . . . . 0.494 ' H ' ' CG2' ' C' ' 708' ' ' THR . 24.0 t70 -148.82 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -72.52 151.81 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.56 -20.46 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.38 3.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 713' ' ' ILE . . . . . 0.53 HD11 ' HB2' ' C' ' 704' ' ' ALA . 0.3 OUTLIER -69.97 -37.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 714' ' ' LYS . . . . . 0.475 ' N ' HG23 ' C' ' 713' ' ' ILE . 30.2 ttmt -51.98 -30.01 23.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 716' ' ' LEU . . . . . 1.043 ' O ' ' HB3' ' C' ' 717' ' ' LEU . 1.1 tt -161.13 98.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 717' ' ' LEU . . . . . 1.043 ' HB3' ' O ' ' C' ' 716' ' ' LEU . 0.3 OUTLIER 124.15 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 718' ' ' GLN . . . . . 0.612 ' N ' ' CD1' ' C' ' 717' ' ' LEU . 11.9 pt20 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.621 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 12.7 p -54.11 94.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -45.9 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -64.91 -33.64 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -60.46 -39.34 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.55 -41.0 84.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.73 -35.89 82.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -65.24 -43.79 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.513 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.45 ' HE ' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.51 -39.75 92.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -47.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.448 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.574 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.93 -41.31 91.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.17 -44.9 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.431 HG22 HD11 ' A' ' 21' ' ' ILE . 96.7 mt -66.65 -46.47 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.637 ' HG1' ' HD1' ' A' ' 23' ' ' HIS . 70.5 p -76.01 8.43 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.612 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.637 ' HD1' ' HG1' ' A' ' 22' ' ' THR . 2.1 m80 -123.71 15.34 9.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.5 146.96 81.55 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.478 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -68.2 167.47 21.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.016 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.89 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.734 2.289 . . . . 0.0 112.12 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.09 21.56 35.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -149.37 37.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.536 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.94 -48.86 27.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.02 -57.38 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 43.9 mp0 -44.46 -54.51 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.79 -42.5 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -59.17 -50.88 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.09 -37.89 81.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.646 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.12 -42.05 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.6 t -67.07 -41.83 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.6 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -56.39 -54.78 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.32 -34.72 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.7 mt -73.27 -49.76 25.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.76 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.475 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 66.4 t30 46.64 49.65 13.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.475 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 71.8 m-20 -168.62 79.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.9 -37.9 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -54.18 -44.16 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.26 -30.89 54.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.68 -38.77 91.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.18 -35.58 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -40.89 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.95 48.75 0.91 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.15 -56.79 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.614 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.53 87.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -54.26 -37.04 64.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.584 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.49 -54.41 12.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.7 m-30 -46.5 -56.61 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' ALA . 90.4 mm-40 -33.55 -45.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.03 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.0 -30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.553 ' C ' ' H ' ' A' ' 61' ' ' GLN . 81.8 mtp -68.84 -66.59 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.84 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 16.1 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.2 m-30 23.92 44.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.4 m -58.88 111.39 3.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.634 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.65 115.16 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.924 2.416 . . . . 0.0 112.196 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.483 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 8.8 p -109.39 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 52.3 mttp -125.19 104.0 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.662 ' O ' ' C ' ' A' ' 68' ' ' GLU . 49.8 mt -51.63 148.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.662 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.5 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.1 m-85 -137.47 14.73 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.613 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 70' ' ' TYR . 96.9 m-20 20.19 39.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.519 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 1.071 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.4 t0 -98.75 19.45 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.701 ' C ' ' O ' ' A' ' 72' ' ' ASP . 0.9 OUTLIER -0.23 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.071 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.92 173.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.538 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 54.8 mt -113.37 152.33 30.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -104.08 105.53 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.6 p -130.19 -176.89 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -78.82 -31.29 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -63.98 -23.57 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.18 15.62 50.67 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.46 100.07 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 tp -49.67 -51.5 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.69 25.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -116.14 1.27 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.83 9.33 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.61 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.33 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.562 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.527 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 52.4 m-85 -114.56 -170.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.8 tp -118.24 157.36 27.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.689 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 62.0 t0 -139.32 88.98 12.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.45 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.681 ' O ' ' NH1' ' A' ' 121' ' ' ARG . 11.2 Cg_endo -61.01 -36.64 81.67 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.855 2.37 . . . . 0.0 112.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.628 ' CG ' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.47 -75.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.455 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -76.48 -20.35 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.689 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 42.2 mttt 62.76 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.449 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 10.6 pt -146.45 154.46 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.819 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.6 t -92.68 133.0 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.729 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 30.1 p90 -140.11 136.65 33.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 59.9 tttm -88.7 113.45 24.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.844 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 48.4 t80 -82.73 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.672 ' H ' ' HB1' ' A' ' 105' ' ' ALA . 33.1 t0 -104.54 90.12 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -36.41 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.8 tp -47.44 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' A' ' 99' ' ' ASP . 8.9 tpp180 -52.78 156.37 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -88.94 2.31 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.844 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -95.54 -164.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.449 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 2.0 m-20 73.78 54.52 0.28 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.819 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.5 Cg_endo -73.51 -177.83 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.83 2.353 . . . . 0.0 112.068 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.812 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.1 OUTLIER -160.11 124.55 2.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.14 131.03 17.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.832 2.355 . . . . 0.0 112.052 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -122.92 102.51 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.9 p-10 -75.55 88.47 2.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.567 ' OG1' ' NZ ' ' A' ' 118' ' ' LYS . 15.6 p -46.93 164.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.9 35.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.81 -59.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.07 3.35 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.567 ' NZ ' ' OG1' ' A' ' 113' ' ' THR . 37.8 ttmt -54.03 -41.85 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 118' ' ' LYS . 74.0 mt-30 -39.25 -55.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -62.52 -47.64 83.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.809 ' HE ' ' N ' ' A' ' 122' ' ' ASP . 5.6 ttp180 -53.88 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.809 ' N ' ' HE ' ' A' ' 121' ' ' ARG . 66.2 t0 -25.45 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.11 -48.56 61.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.437 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 36.4 t70 -40.46 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -48.03 -46.11 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.498 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.36 -51.44 34.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.507 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.78 -12.24 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.603 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.79 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.65 -39.2 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.579 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 21.0 t80 -54.79 -38.8 67.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 134' ' ' ASP . 97.7 t -74.74 -40.53 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.569 ' NZ ' ' HZ2' ' B' ' 556' ' ' LYS . 28.4 tptt -76.16 25.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.7 m-20 -147.51 7.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.54 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.606 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 93.5 m-70 -151.01 -21.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.57 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 5.3 m-85 -114.65 106.5 52.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.589 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.446 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.8 Cg_exo -51.61 -57.23 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.773 2.315 . . . . 0.0 112.021 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -127.52 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.65 12.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -135.06 158.12 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.765 0.317 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 86.7 m -161.4 97.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.502 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 43.1 t -75.72 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.621 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 92.8 m-85 -120.21 124.32 45.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.75 84.5 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.494 ' HG3' ' H ' ' A' ' 147' ' ' SER . 20.5 tptt -123.79 167.31 14.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.512 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.494 ' H ' ' HG3' ' A' ' 146' ' ' LYS . 54.0 p -107.51 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.2 104.13 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 42.4 t0 46.65 54.18 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.77 4.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.73 129.8 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.319 . . . . 0.0 110.684 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.563 ' H ' HG21 ' A' ' 181' ' ' ILE . 82.5 mm-40 -85.76 150.51 24.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.904 ' OG1' ' HA ' ' A' ' 180' ' ' THR . 87.3 m -155.28 146.22 22.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.54 ' N ' HG23 ' A' ' 153' ' ' THR . 4.8 mp -108.53 110.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.621 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 19.8 mm -98.06 117.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.91 116.09 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.252 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 95.9 m -106.17 135.47 47.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.3 mt -122.76 137.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.213 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.6 tm-20 -131.3 151.91 51.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.029 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.183 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.603 ' HD1' HH21 ' A' ' 172' ' ' ARG . 0.5 OUTLIER -140.63 170.6 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.958 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.5 mm-40 -148.61 77.85 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.248 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -65.4 147.48 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.951 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.62 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 3.1 tp-100 -168.0 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.68 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.5 Cg_endo -60.69 -52.12 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.459 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . 0.68 ' N ' ' O ' ' A' ' 165' ' ' PRO . 97.8 m-20 -121.94 -10.46 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.83 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 48.6 m-85 70.04 80.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.83 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 16.1 p-90 158.82 127.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.742 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -136.03 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.361 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.532 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.603 HH21 ' HD1' ' A' ' 161' ' ' HIS . 41.4 ttm180 -165.72 136.64 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' TRP . . . . . 0.734 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.0 t-105 -107.55 138.87 42.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.486 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.3 mtm180 -125.35 152.28 44.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -166.31 111.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.033 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.663 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 81.5 tt0 -116.42 124.72 50.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.094 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.649 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.4 m95 -120.57 116.92 26.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -98.62 119.83 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.721 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.8 m-85 -117.51 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.71 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.904 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.7 m -50.08 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . 0.713 ' O ' ' OG1' ' A' ' 182' ' ' THR . 9.8 tp -164.31 151.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.661 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.918 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.78 61.45 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 1.023 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 90.3 Cg_exo -34.41 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.82 0 C-N-CA 123.481 2.787 . . . . 0.0 112.661 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.918 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.6 Cg_endo -79.8 -4.32 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.851 2.367 . . . . 0.0 112.144 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' THR . . . . . 1.03 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.32 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.22 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 1.108 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.79 131.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 1.068 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.9 mt-30 -106.75 -114.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.235 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.951 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 6.5 t 145.63 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.674 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.76 ' H ' HG13 ' A' ' 188' ' ' VAL . . . 165.83 111.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.365 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 2.8 p -165.78 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.507 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . 18.6 mt -85.53 157.82 20.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -150.37 147.89 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 29.5 mt -149.45 134.05 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.26 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 205' ' ' GLN . 7.3 tt0 -142.32 130.28 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.947 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 47.1 t -132.66 136.66 55.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . 0.764 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 10.7 t-80 -126.55 141.61 51.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.933 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 48.3 t80 -145.58 87.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.4 t80 -100.08 87.74 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' GLU . . . . . 0.797 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.0 tt0 -129.48 52.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.346 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . 0.797 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.7 t0 114.8 2.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.422 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.72 -129.12 1.08 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -172.8 99.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.09 129.19 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' GLN . . . . . 0.701 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 3.7 tt0 -136.84 154.15 50.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . . . . . . . . . 7.8 tt -122.25 87.2 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . 0.569 ' CG2' ' NE2' ' A' ' 205' ' ' GLN . 12.2 t -90.1 122.25 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.442 ' HG ' ' C ' ' A' ' 207' ' ' VAL . 19.8 m -149.55 147.25 27.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -157.85 145.15 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . 0.553 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 51.1 tttp -135.49 129.03 32.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.885 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.1 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.0 tt -127.1 154.89 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -150.2 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.285 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' ASP . . . . . 0.636 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.9 t0 -118.84 166.11 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' SER . . . . . 1.068 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 70.7 m -117.84 103.41 9.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.429 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' VAL . . . . . 1.108 ' O ' ' O ' ' A' ' 186' ' ' ALA . 53.2 t -91.93 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.666 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . 1.03 ' HA ' ' O ' ' A' ' 185' ' ' THR . 0.0 OUTLIER -102.65 128.05 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 1.023 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 75.6 t -86.03 137.56 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.554 ' H ' ' HG1' ' A' ' 224' ' ' THR . 42.7 t -131.03 -99.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' SER . . . . . 0.5 ' O ' ' OG1' ' A' ' 224' ' ' THR . 2.3 t -100.2 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.558 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -86.8 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 81.7 t -70.06 -24.7 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -73.97 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.554 ' HG1' ' H ' ' A' ' 219' ' ' SER . 24.9 m -54.63 -36.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' ALA . . . . . 0.452 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.57 -57.08 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -57.11 -30.52 64.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.391 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.423 ' O ' ' CD1' ' A' ' 231' ' ' ILE . 94.6 mt-10 -67.6 -38.77 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . 0.455 ' CE1' ' CD1' ' A' ' 179' ' ' PHE . 14.6 m-85 -67.77 -53.95 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.9 mm -52.13 -27.34 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.387 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -74.87 -36.71 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.326 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' ILE . . . . . 0.423 ' CD1' ' O ' ' A' ' 227' ' ' GLU . 1.3 mp -67.56 -41.17 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' ILE . . . . . 0.446 HG12 ' CD2' ' A' ' 177' ' ' TRP . 54.0 mt -70.02 -44.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.428 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.08 -46.97 82.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.64 -43.93 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.12 -51.96 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.416 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' GLU . . . . . 0.404 ' OE2' ' NE1' ' A' ' 173' ' ' TRP . 10.4 tp10 -60.18 -44.13 95.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.437 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' ASN . . . . . 0.449 ' O ' ' OG1' ' A' ' 241' ' ' THR . 5.1 m120 -60.03 -40.22 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.46 -44.39 74.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 240' ' ' GLN . . . . . 0.509 HE21 ' CD1' ' B' ' 546' ' ' ILE . 0.8 OUTLIER -68.23 -38.95 82.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 19.7 m -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.67 71.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . 0.414 HD11 HG21 ' A' ' 243' ' ' ILE . 50.4 mt -69.16 -47.55 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.69 -34.18 73.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.93 -42.89 84.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . 0.669 HD22 ' NZ ' ' B' ' 481' ' ' LYS . 4.2 m120 -62.16 -34.57 76.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 247' ' ' TYR . . . . . 0.54 ' OH ' ' OG1' ' B' ' 536' ' ' THR . 0.4 OUTLIER -64.94 -31.93 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -73.19 -50.84 20.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 249' ' ' THR . . . . . 0.405 ' O ' ' HB ' ' A' ' 253' ' ' THR . 16.0 m -64.84 -34.83 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 37.0 mtt -72.83 -14.54 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.9 p -112.94 -10.17 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 252' ' ' ASP . . . . . 0.888 ' O ' ' OG1' ' A' ' 253' ' ' THR . 65.4 t0 -132.09 47.77 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 253' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 29.7 m 175.7 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 254' ' ' THR . . . . . 0.435 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 15.1 m -53.57 -61.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -47.69 -57.58 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.14 -11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 253' ' ' THR . . . -87.24 -18.24 30.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -78.02 -91.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 259' ' ' ARG . . . . . 0.486 HH12 ' HB3' ' B' ' 521' ' ' GLU . 15.0 ptm180 -98.67 174.46 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 260' ' ' ARG . . . . . 0.53 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 11.8 mmm180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -83.73 -11.24 57.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.444 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 1.2 pp -163.63 133.26 3.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 263' ' ' PRO . . . . . 0.724 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.3 Cg_exo -43.93 135.45 7.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.88 2.387 . . . . 0.0 112.022 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 264' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 263' ' ' PRO . 5.0 m -37.84 -38.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 265' ' ' THR . . . . . 0.401 ' N ' ' CG2' ' A' ' 264' ' ' VAL . 4.2 m -64.2 -5.41 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 266' ' ' ARG . . . . . 0.68 ' N ' ' O ' ' A' ' 263' ' ' PRO . 68.3 ttt180 54.11 55.59 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.2 t 173.29 114.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.9 mttt -16.86 131.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 269' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 9.8 tt -50.26 158.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . 0.802 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.5 OUTLIER -117.13 58.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 271' ' ' TRP . . . . . 0.592 ' C ' ' O ' ' A' ' 270' ' ' ASP . 80.3 m95 -21.42 -55.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' B' ' 506' ' ' SER . 12.3 m120 -44.52 -25.63 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . 1.221 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 97.9 mttt -99.94 -7.72 24.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.65 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 274' ' ' ILE . . . . . 0.586 ' O ' ' CG2' ' A' ' 274' ' ' ILE . 2.0 mp -103.17 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . 0.724 ' O ' ' CB ' ' A' ' 276' ' ' SER . 74.2 mt -111.1 44.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 276' ' ' SER . . . . . 1.32 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.2 p 141.92 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 1.221 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.2 t80 -30.97 43.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 278' ' ' LYS . . . . . 1.32 ' N ' ' O ' ' A' ' 276' ' ' SER . 35.7 ttmt -107.72 80.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 1.079 ' O ' ' O ' ' A' ' 280' ' ' GLY . 15.9 mm 54.22 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 1.079 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 24.4 pttm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.515 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 302' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 13.2 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -42.81 -51.24 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . 0.444 ' H ' ' CD ' ' B' ' 304' ' ' GLN . 27.3 mp0 -55.34 -34.11 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 302' ' ' SER . 25.0 mt-30 -60.74 -49.1 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.406 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.26 -40.62 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.93 -40.84 95.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 95.9 m -68.09 -37.19 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.389 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.12 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' B' ' 315' ' ' ARG . 43.7 t0 -68.27 -33.65 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.79 -43.7 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.421 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.3 mmm -64.39 -25.67 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.3 -12.32 58.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 315' ' ' ARG . . . . . 0.582 HH11 ' HG2' ' B' ' 315' ' ' ARG . 12.0 mmt-85 -100.07 -46.93 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.57 147.7 95.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.6 128.45 21.0 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.783 2.322 . . . . 0.0 112.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.52 -3.98 14.1 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.89 2.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -80.64 -17.84 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -123.89 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.4 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.71 -60.84 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.524 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -54.59 -54.42 41.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -54.67 -55.75 26.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 38.3 tp -47.16 -48.95 23.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.43 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.05 -49.72 74.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.444 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.33 -40.75 97.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.459 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 52.6 tp -55.52 -41.09 72.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.451 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -41.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.388 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -38.02 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.22 -29.05 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.58 84.61 9.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.432 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.09 -5.56 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.701 2.267 . . . . 0.0 112.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.37 -6.41 56.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 78.8 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.9 p -64.04 -55.92 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.581 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 10.7 tm-20 -60.28 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' ASP . . . . . 0.416 ' O ' ' OG ' ' B' ' 342' ' ' SER . 98.8 m-20 -58.73 -36.13 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.532 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . 0.43 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 66.5 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 33.7 mt -81.51 12.42 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 63.3 p -144.13 -3.65 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 338' ' ' ASP . 5.6 m -119.36 -15.49 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.88 120.07 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.456 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -87.83 128.63 35.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.419 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 3.5 pt20 -129.35 165.89 29.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 81.0 Cg_exo -44.41 125.32 5.87 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.829 2.353 . . . . 0.0 112.08 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.8 122.54 17.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -88.62 148.79 23.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.389 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.2 tt -102.96 136.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' ALA . . . . . 0.732 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.62 157.64 33.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.485 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -114.31 143.32 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 56.3 t0 -111.93 81.36 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.1 mttp -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.609 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 94.5 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.5 t -92.98 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.7 70.54 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 45.0 mmtm -115.11 154.91 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' ASP . . . . . 0.732 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 35.8 p30 -94.77 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.623 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 31.3 p90 -139.68 135.75 33.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.2 156.63 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.1 mt -108.55 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 362' ' ' CYS . . . . . 0.781 ' H ' HD22 ' B' ' 365' ' ' ASN . 26.6 p -168.2 168.59 11.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 363' ' ' ASP . . . . . 0.644 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.4 -10.35 59.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -88.38 -18.17 28.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 365' ' ' ASN . . . . . 0.781 HD22 ' H ' ' B' ' 362' ' ' CYS . 0.1 OUTLIER -123.22 24.73 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -119.99 129.83 54.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.15 99.47 6.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -126.27 8.69 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 370' ' ' SER . . . . . 0.943 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 82.5 p -122.33 161.32 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 371' ' ' TYR . . . . . 1.107 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 1.6 m-85 -118.3 150.78 38.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -98.77 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 373' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 98.6 p -79.57 133.8 58.87 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 374' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 3.3 Cg_exo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.848 2.365 . . . . 0.0 112.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -85.94 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 31.3 t -83.15 -18.63 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 377' ' ' ASN . . . . . 0.569 ' HA ' ' O ' ' B' ' 373' ' ' SER . 55.5 t30 70.28 40.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -141.53 137.92 32.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 379' ' ' TYR . . . . . 1.107 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.1 OUTLIER -65.77 140.41 58.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.757 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.95 -60.41 6.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 0.943 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.48 120.04 7.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 123.022 2.482 . . . . 0.0 112.299 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -41.56 79.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.949 2.433 . . . . 0.0 112.308 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.755 ' HB3' ' CE1' ' B' ' 379' ' ' TYR . 1.1 tp -84.56 177.59 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.97 65.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 386' ' ' GLY . . . . . 0.766 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.21 151.75 47.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -64.01 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.796 0.331 . . . . 0.0 110.555 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -132.26 148.58 70.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.98 150.75 49.31 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.782 2.321 . . . . 0.0 112.15 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.71 142.93 17.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.6 -43.79 5.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -67.9 -37.77 82.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.93 -42.47 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -55.32 -36.8 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.47 -46.65 85.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.337 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.38 -31.99 73.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.328 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -67.77 -38.07 82.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.372 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.06 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.397 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.74 -36.96 79.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.358 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.84 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 58.4 m-80 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 402' ' ' ASN . . . . . 0.456 ' O ' ' NE2' ' B' ' 406' ' ' GLN . 27.8 t-20 -72.13 -40.4 68.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.36 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.99 78.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.387 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.27 -29.25 67.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 32.8 m-20 -54.64 -38.81 67.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . 0.488 ' N ' ' OE1' ' B' ' 406' ' ' GLN . 1.0 OUTLIER -77.04 -32.92 57.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -69.76 -18.61 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 408' ' ' ARG . . . . . 0.574 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.1 ttp180 -83.81 -35.54 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 409' ' ' ASP . . . . . 0.55 ' OD2' ' NZ ' ' C' ' 604' ' ' LYS . 16.8 t70 -85.18 -8.9 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 410' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 4.8 mp -95.83 -17.88 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.571 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 411' ' ' TYR . . . . . 0.724 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.01 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 73.1 m-85 -100.65 -25.92 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 413' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.9 mt-10 63.5 24.39 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.51 25.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 415' ' ' GLY . . . . . 0.574 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.37 -163.48 52.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.456 ' HA ' HH11 ' B' ' 408' ' ' ARG . 20.9 t -128.64 153.72 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 37.7 t -143.58 148.52 36.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.2 t -148.17 143.95 27.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.87 130.25 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.531 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 53.8 t80 -128.48 132.47 48.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.313 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.68 158.35 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.749 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 422' ' ' TRP . . . . . 0.568 ' CD1' ' N ' ' B' ' 422' ' ' TRP . 2.9 p-90 -154.45 110.6 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -43.06 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 424' ' ' LEU . . . . . 0.491 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 2.6 tp -127.86 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . 0.491 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 64.4 t0 -87.32 -49.85 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -129.79 30.77 4.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.62 2.56 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.72 154.07 4.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.741 0.305 . . . . 0.0 110.577 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . 0.488 ' CB ' ' CE2' ' B' ' 422' ' ' TRP . . . -123.97 172.83 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.64 34.99 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 431' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.04 126.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.32 113.69 40.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' B' ' 450' ' ' SER . 46.5 mt -102.83 143.14 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 434' ' ' ILE . . . . . 0.581 ' HB ' ' HB3' ' B' ' 450' ' ' SER . 30.4 mt -148.73 119.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -122.51 127.55 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 436' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.18 119.58 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.88 138.2 40.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.13 179.48 45.29 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -50.68 128.03 19.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 110.557 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.6 9.76 75.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 441' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' C' ' 677' ' ' TYR . 3.7 p -110.43 -4.24 15.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.576 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -89.25 153.89 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 443' ' ' LYS . . . . . 0.543 ' H ' ' CD ' ' B' ' 443' ' ' LYS . 7.1 mptt -56.89 -43.84 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 65.1 mt -95.07 135.92 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.752 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.75 154.75 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.7 152.45 24.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.1 m -149.51 130.7 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 448' ' ' TRP . . . . . 0.543 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.6 t-105 -114.83 116.26 28.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -109.54 127.18 54.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 450' ' ' SER . . . . . 0.581 ' HB3' ' HB ' ' B' ' 434' ' ' ILE . 0.6 OUTLIER -115.93 122.74 46.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 451' ' ' ILE . . . . . 0.468 ' O ' HG21 ' B' ' 472' ' ' THR . 51.3 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.206 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 452' ' ' HIS . . . . . 0.534 ' NE2' ' OE2' ' B' ' 521' ' ' GLU . 1.4 m170 -108.63 132.41 53.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.862 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.69 95.59 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.281 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.7 p -96.65 153.6 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -131.83 102.23 5.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.312 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 61.4 t -79.08 139.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -123.51 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.476 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -40.3 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.664 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 459' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' B' ' 464' ' ' THR . 52.6 mttp -109.33 141.97 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 460' ' ' SER . . . . . 0.475 ' HG ' ' N ' ' B' ' 461' ' ' SER . 78.0 p -48.99 -54.14 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 461' ' ' SER . . . . . 0.475 ' N ' ' HG ' ' B' ' 460' ' ' SER . 54.3 p -126.75 146.54 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.578 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 462' ' ' GLY . . . . . 0.555 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.08 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 59.15 -0.17 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.542 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.605 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 0.2 OUTLIER -82.29 123.68 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.419 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.75 151.86 33.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.9 126.58 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -103.17 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -135.84 86.1 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.186 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 469' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' B' ' 470' ' ' THR . 0.5 OUTLIER -82.09 157.54 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.505 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 470' ' ' THR . . . . . 0.431 ' H ' ' HG ' ' B' ' 469' ' ' LEU . 19.1 m -157.86 62.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.06 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 471' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.3 p -64.61 174.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.152 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 472' ' ' THR . . . . . 0.468 HG21 ' O ' ' B' ' 451' ' ' ILE . 0.2 OUTLIER -168.76 87.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.151 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 473' ' ' VAL . . . . . 0.459 HG13 ' CH2' ' B' ' 448' ' ' TRP . 88.3 t -69.74 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 474' ' ' MET . . . . . 0.448 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 3.0 ttt -124.74 96.02 4.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.13 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.69 131.12 34.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 476' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' B' ' 476' ' ' TRP . 3.6 t-105 -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.254 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.3 mt -137.3 124.67 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 478' ' ' GLN . . . . . 0.516 ' NE2' ' OD1' ' B' ' 488' ' ' ASN . 49.7 tt0 -138.2 158.17 44.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.471 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 10.5 t -163.46 127.43 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.643 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 480' ' ' ASN . . . . . 0.446 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.21 73.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 9.1 mtmp? -107.58 146.67 31.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 482' ' ' THR . . . . . 0.553 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.5 m -57.29 -45.95 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.69 -25.22 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' N ' ' B' ' 486' ' ' THR . 7.5 t -125.97 14.91 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.547 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 486' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.1 m -126.1 113.96 17.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.47 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 6.0 ttp -125.12 118.04 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 488' ' ' ASN . . . . . 0.516 ' OD1' ' NE2' ' B' ' 478' ' ' GLN . 60.6 m-80 -118.95 123.98 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 489' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.8 tp -131.67 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.44 -163.82 21.76 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 491' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.88 -142.61 11.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 492' ' ' SER . . . . . 0.646 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 76.4 p 163.2 135.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.52 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 494' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 58.1 m -127.1 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.504 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -150.02 128.72 12.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.82 160.56 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 26.6 ttt -160.06 130.48 5.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.617 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -133.54 141.59 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -172.21 145.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 45.2 p-10 -91.26 125.21 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -120.71 160.16 23.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.6 m -94.27 131.84 39.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.64 122.45 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -142.97 -177.27 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.94 -35.8 77.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 506' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 272' ' ' ASN . 78.1 p -83.69 -19.79 34.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 17.8 t -135.5 73.42 62.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.56 -172.57 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.807 2.338 . . . . 0.0 112.145 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -58.81 -62.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 510' ' ' ILE . . . . . 0.406 HD13 HG21 ' B' ' 510' ' ' ILE . 71.4 mt -42.75 -48.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.18 72.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -48.18 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.01 -33.65 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.55 74.27 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -57.36 -44.33 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.75 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.14 -52.53 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.623 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 517' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' B' ' 521' ' ' GLU . 60.8 t -55.47 -47.24 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -57.89 -51.72 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -63.47 -37.54 87.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 2.3 tpt -64.39 -49.43 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 521' ' ' GLU . . . . . 0.534 ' OE2' ' NE2' ' B' ' 452' ' ' HIS . 1.7 mp0 -62.58 -45.27 93.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.713 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.92 -41.44 78.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.75 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.45 -24.37 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 525' ' ' ARG . . . . . 0.517 ' HG2' HH11 ' B' ' 525' ' ' ARG . 33.6 ttt-85 -68.72 -27.67 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -84.97 -38.74 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 73.1 p -66.06 -35.82 81.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 63.1 mt -64.94 -42.31 94.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.71 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.57 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . 0.967 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.8 mt-10 -74.4 -54.4 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.644 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.43 -61.47 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 532' ' ' TYR . . . . . 0.694 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.9 m-85 -50.29 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 533' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.8 40.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.559 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . 0.967 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' B' ' 536' ' ' THR . 0.8 OUTLIER -56.89 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 110.503 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.658 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 43.7 p -34.77 -57.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -50.44 -53.23 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -53.2 -44.93 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 33.7 mm -61.73 -36.04 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.44 -42.01 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -69.76 -17.13 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.34 48.01 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . 0.446 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.6 mt -68.13 -51.4 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.475 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 544' ' ' ARG . . . . . 0.84 ' HG2' ' H ' ' B' ' 545' ' ' SER . 2.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.652 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 545' ' ' SER . . . . . 0.84 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 38.5 t -142.18 137.86 31.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 546' ' ' ILE . . . . . 0.509 ' CD1' HE21 ' A' ' 240' ' ' GLN . 97.4 mt -69.1 -43.48 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -82.91 138.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 548' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.46 122.13 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.52 112.73 31.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.3 Cg_exo -46.61 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.852 2.368 . . . . 0.0 112.071 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.6 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 552' ' ' ASN . . . . . 0.44 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 10.2 p30 -129.91 116.19 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -85.27 -24.8 27.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.697 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.57 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -45.15 -56.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 556' ' ' LYS . . . . . 0.569 ' HZ2' ' NZ ' ' A' ' 133' ' ' LYS . 56.9 mtpt -57.55 -46.9 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.757 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.87 -29.64 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 60.0 tp -77.78 -30.37 51.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -73.5 -36.39 65.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . 0.434 HH11 ' HG2' ' B' ' 560' ' ' ARG . 57.9 ttt-85 -58.21 -40.55 81.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 561' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' B' ' 564' ' ' GLN . 73.0 mm-40 -67.79 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.727 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.887 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 58.9 tp -49.1 -40.69 33.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 68.0 m -61.18 -76.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 12.5 pt20 -36.68 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.887 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 18.1 t -72.12 -42.68 67.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.2 tp -81.46 -35.59 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 24.7 m -70.26 -19.62 63.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -117.53 6.65 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.98 -141.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.483 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.865 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 5.3 tt0 139.82 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 571' ' ' ILE . . . . . 0.865 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 55.6 mt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 601' ' ' MET . . . . . 0.4 ' C ' ' H ' ' C' ' 603' ' ' ASP . 79.0 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.3 m 62.12 5.94 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 603' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' C' ' 601' ' ' MET . 97.4 m-20 -49.86 -37.76 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 604' ' ' LYS . . . . . 0.55 ' NZ ' ' OD2' ' B' ' 409' ' ' ASP . 79.0 tttt -69.71 -52.23 27.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -55.07 -28.91 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -75.68 -53.61 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 607' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' C' ' 607' ' ' MET . 6.8 tmm? -72.82 -36.82 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 608' ' ' TRP . . . . . 0.478 ' N ' ' O ' ' C' ' 604' ' ' LYS . 76.2 t-105 -56.75 -16.04 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.606 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 609' ' ' ALA . . . . . 0.464 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.39 -50.67 13.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.639 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 4.0 mt -66.28 1.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 611' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.3 tttm -102.07 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -70.36 -4.27 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 613' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.04 21.85 58.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 614' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.8 m-20 -63.83 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 615' ' ' LEU . . . . . 0.693 ' O ' HD21 ' C' ' 615' ' ' LEU . 2.8 tm? -44.99 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 616' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' C' ' 614' ' ' ASP . 62.5 m-20 -77.75 -27.51 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 617' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.52 -49.85 10.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 10.7 p -62.81 -28.42 44.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -66.22 -21.88 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 620' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 65.0 t0 -75.33 -45.39 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 14.6 t -57.73 -27.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 623' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.69 -16.75 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -64.82 -76.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 625' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.9 82.37 0.1 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 626' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.9 pt-20 34.23 95.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 627' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 96.9 m-20 -140.98 62.66 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.654 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 628' ' ' VAL . . . . . . . . . . . . . 3.3 m -121.94 76.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.536 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -173.0 5.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 630' ' ' ARG . . . . . 0.655 HH11 ' CG ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.09 166.85 21.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 631' ' ' THR . . . . . 0.504 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.2 OUTLIER -82.03 87.64 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 632' ' ' LEU . . . . . 0.504 ' C ' ' O ' ' C' ' 631' ' ' THR . 43.8 tp -31.32 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.527 ' OE2' ' NH1' ' A' ' 260' ' ' ARG . 11.6 tp10 -71.7 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.68 -11.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 635' ' ' GLY . . . . . 0.523 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.47 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 636' ' ' ARG . . . . . 0.62 HH21 ' CG2' ' A' ' 253' ' ' THR . 99.1 mtt180 -127.92 164.9 21.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 637' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' C' ' 639' ' ' LEU . 11.3 mmtp -108.41 156.99 37.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 638' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 57.0 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.805 2.337 . . . . 0.0 112.136 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 639' ' ' LEU . . . . . 0.453 ' H ' ' C ' ' C' ' 637' ' ' LYS . 0.6 OUTLIER -117.68 -16.31 10.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -75.23 -43.87 49.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.64 -36.03 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.92 -44.92 75.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.47 62.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD1' ' OE2' ' C' ' 678' ' ' GLU . 4.8 t70 -60.64 -35.7 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 645' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 38.5 t -160.87 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.02 34.11 4.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 647' ' ' GLN . . . . . 0.588 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 88.0 mt-30 51.66 4.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.523 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 648' ' ' LEU . . . . . 0.846 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.57 7.02 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -115.8 -12.54 11.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 650' ' ' ILE . . . . . 0.462 HG23 HD13 ' C' ' 650' ' ' ILE . 1.0 OUTLIER -87.58 -36.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.599 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 1.128 HD22 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.33 -52.93 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 652' ' ' GLU . . . . . 1.128 ' H ' HD22 ' C' ' 651' ' ' LEU . 56.8 mm-40 -56.13 -22.61 29.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 653' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.0 OUTLIER -75.88 -97.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 654' ' ' LEU . . . . . 0.608 ' H ' ' CD2' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.38 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 655' ' ' LEU . . . . . 0.98 ' N ' ' O ' ' C' ' 653' ' ' PHE . 57.9 tp -102.93 -47.91 4.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.22 -25.37 63.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.82 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 658' ' ' GLY . . . . . . . . . . . . . . . -65.38 -109.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 659' ' ' ALA . . . . . 0.734 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.1 33.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.524 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 660' ' ' ASP . . . . . 0.456 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.8 m-20 -57.36 10.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 661' ' ' ILE . . . . . 0.734 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.8 tt -65.98 1.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 662' ' ' ASN . . . . . 1.041 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.3 m-20 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.13 -33.65 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 664' ' ' PRO . . . . . 1.041 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.7 Cg_exo -46.93 120.82 4.44 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.889 2.393 . . . . 0.0 112.14 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -125.88 -50.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -78.84 -16.13 57.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 667' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.4 m80 -80.53 -6.23 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 40.52 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 10.7 tt -176.86 147.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.23 168.7 10.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 671' ' ' PRO . . . . . 0.506 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.48 -30.52 12.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.824 2.349 . . . . 0.0 112.122 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.39 -49.01 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 673' ' ' LEU . . . . . 0.618 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 15.8 mt -67.87 -27.85 67.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 674' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 17.2 p -51.76 -40.87 61.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.517 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 675' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.07 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 676' ' ' VAL . . . . . 0.618 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 10.8 t -47.17 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 677' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' B' ' 441' ' ' SER . 0.3 OUTLIER -77.83 39.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 678' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' C' ' 644' ' ' ASP . 37.0 tp10 -124.52 -28.65 3.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.21 -11.33 72.37 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 19.3 m170 -71.94 -53.51 12.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 681' ' ' VAL . . . . . 0.665 ' O ' HG21 ' C' ' 684' ' ' VAL . 9.2 m 43.27 -4.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.628 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.42 -24.26 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -48.67 6.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 684' ' ' VAL . . . . . 0.665 HG21 ' O ' ' C' ' 681' ' ' VAL . 4.0 m -41.91 -34.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 685' ' ' LYS . . . . . 0.626 ' O ' ' CD1' ' C' ' 688' ' ' LEU . 63.8 tttm -62.56 -73.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 686' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' C' ' 686' ' ' LEU . 4.4 mm? -62.95 1.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 687' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' C' ' 685' ' ' LYS . 28.8 tp -81.9 -70.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 688' ' ' LEU . . . . . 0.817 ' CD1' ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.72 -21.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.512 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 689' ' ' SER . . . . . 0.817 ' N ' ' CD1' ' C' ' 688' ' ' LEU . 6.6 m -55.75 -21.54 19.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.604 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -99.62 -6.27 27.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 692' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.0 t0 33.11 -128.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -152.52 -23.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 28.8 m -156.57 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.593 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.41 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -140.13 23.53 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.67 142.77 20.36 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 699' ' ' PRO . . . . . 0.71 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.82 -27.75 2.59 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.815 2.343 . . . . 0.0 112.155 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 700' ' ' ASP . . . . . 0.71 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 31.2 m-20 157.74 -112.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 701' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.76 0.33 89.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 702' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.5 tt -53.89 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 703' ' ' THR . . . . . 0.637 ' C ' ' O ' ' C' ' 702' ' ' LEU . 92.5 m 16.26 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 704' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' C' ' 707' ' ' ALA . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 705' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.7 tp -62.88 -75.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.74 15.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . 0.465 ' HB2' ' HA ' ' C' ' 704' ' ' ALA . . . -83.44 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 708' ' ' THR . . . . . 0.489 ' CG2' ' H ' ' C' ' 709' ' ' ASP . 1.4 m -139.83 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.62 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 709' ' ' ASP . . . . . 0.489 ' H ' ' CG2' ' C' ' 708' ' ' THR . 53.2 p-10 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.562 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -72.55 151.89 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -71.62 -20.46 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.23 -60.36 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 713' ' ' ILE . . . . . 0.422 HD13 HG22 ' C' ' 713' ' ' ILE . 0.0 OUTLIER -70.0 -37.62 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 714' ' ' LYS . . . . . 0.406 ' H ' HG12 ' C' ' 713' ' ' ILE . 32.6 mmtm -52.09 -29.93 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.16 14.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 716' ' ' LEU . . . . . 0.857 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.0 98.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 717' ' ' LEU . . . . . 0.857 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 19.0 mt 124.19 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 718' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' C' ' 717' ' ' LEU . 3.4 mt-30 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 9.3 p -54.09 94.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -45.87 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.618 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.93 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.46 -39.27 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.6 -40.97 84.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -63.69 -35.84 81.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.29 -43.82 95.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.502 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -61.44 -39.78 92.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.734 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.37 -47.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.95 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.92 -41.34 91.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.16 -44.91 87.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.4 HD12 HG23 ' A' ' 21' ' ' ILE . 96.8 mt -66.68 -46.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.644 ' HG1' ' HD1' ' A' ' 23' ' ' HIS . 70.9 p -75.97 8.44 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.644 ' HD1' ' HG1' ' A' ' 22' ' ' THR . 2.2 m80 -123.74 15.34 9.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.99 81.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.5 Cg_endo -68.25 167.52 21.86 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.814 2.343 . . . . 0.0 112.08 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -70.92 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.743 2.295 . . . . 0.0 112.093 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.12 21.49 35.47 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' OE1' ' NH1' ' B' ' 315' ' ' ARG . 42.1 mt-10 -149.34 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.87 -48.91 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.0 -57.43 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.462 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 44.1 mp0 -44.47 -54.44 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.86 -42.38 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -59.3 -50.82 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.05 -37.93 81.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.1 -42.05 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.1 -41.81 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -56.36 -54.82 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -34.73 72.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.25 -49.75 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 tp -61.75 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 46.62 49.73 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 27.9 t-20 -168.7 79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -51.85 -37.92 53.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -54.18 -44.21 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.2 mt -77.25 -30.81 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.77 -38.75 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.19 -35.54 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -40.9 -59.82 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.89 48.67 0.92 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.18 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.47 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.33 -36.94 64.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.37 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.54 -56.58 5.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.65 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.2 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.04 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -46.96 -30.91 2.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.554 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.3 ttp -68.92 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.534 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.4 p30 -67.84 10.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.9 mm-40 -124.61 24.75 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.91 44.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.49 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.2 m -58.81 111.35 3.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.603 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -75.73 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.858 2.372 . . . . 0.0 112.178 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 12.7 p -109.41 165.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 87.1 tttt -125.14 103.95 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.67 ' O ' ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.641 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.67 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.1 tm-20 -13.21 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.584 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.52 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.09 0.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.787 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.48 14.77 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 70' ' ' TYR . 48.5 t0 20.13 39.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 1.059 ' O ' ' N ' ' A' ' 74' ' ' VAL . 30.8 t70 -98.83 19.37 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 71.6 mm-40 -0.19 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.059 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.531 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 46.9 mt -113.35 152.26 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 76' ' ' ILE . 96.3 mt -104.04 105.49 18.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 p -130.13 -176.88 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.82 -31.25 45.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -63.95 -23.62 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.525 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.63 50.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -85.45 100.04 11.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 110.599 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.2 tp -49.64 -51.51 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.72 25.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.13 -15.73 9.37 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.644 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.4 168.73 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.372 . . . . 0.0 110.537 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.525 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.5 m-85 -114.54 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.541 ' CD2' ' H ' ' A' ' 89' ' ' ASP . 0.5 OUTLIER -118.28 157.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.689 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 19.0 t0 -139.3 89.01 12.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.505 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.0 Cg_endo -60.97 -36.73 81.5 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.916 2.41 . . . . 0.0 111.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.582 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 6.1 ttp180 -59.47 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.664 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.6 t-20 -76.51 -20.38 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.689 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.1 mtmp? 62.78 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.52 ' CD1' ' OD1' ' A' ' 92' ' ' ASN . 23.6 pt -146.43 154.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.822 ' O ' ' N ' ' A' ' 109' ' ' GLN . 1.9 t -92.62 133.01 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.726 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 39.4 p90 -140.15 136.62 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 33.7 ttpt -88.66 113.39 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.847 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 48.4 t80 -82.68 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.673 ' H ' ' HB1' ' A' ' 105' ' ' ALA . 8.8 t70 -104.51 90.14 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.459 ' CB ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.38 -67.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt -47.48 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.74 156.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -88.88 2.26 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.531 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.23 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.847 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.836 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 60.4 m -95.58 -164.12 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.858 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.74 54.49 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.801 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.49 -177.75 3.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.818 2.346 . . . . 0.0 112.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.2 tt0 -160.19 124.58 2.09 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.523 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.15 131.04 17.4 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.816 2.344 . . . . 0.0 112.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 10.0 tm-20 -122.91 102.46 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -75.51 88.41 2.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.5 p -46.93 164.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.05 -30.07 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.646 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.91 35.63 1.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.686 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.3 tp -104.18 3.38 32.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.514 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.72 ' HZ1' HH21 ' A' ' 121' ' ' ARG . 10.7 mmpt? -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' LYS . 99.2 mm-40 -39.22 -55.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -62.58 -47.6 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.72 HH21 ' HZ1' ' A' ' 118' ' ' LYS . 5.3 tmm_? -53.83 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.576 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.5 m-20 -25.41 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.18 0.46 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.6 m -51.08 -48.58 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.418 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.41 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 37.0 m -47.97 -46.2 32.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.442 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.42 34.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.76 -12.32 60.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.626 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.38 -32.72 74.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.615 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.69 -39.24 24.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.55 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.4 t80 -54.78 -38.8 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 134' ' ' ASP . 87.7 t -74.73 -40.54 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.446 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.7 mttt -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.517 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.0 m-20 -147.58 7.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.685 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.9 m80 -151.07 -21.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.3 m-85 -114.67 106.48 52.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.0 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.775 2.316 . . . . 0.0 112.09 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.53 50.07 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.64 12.62 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -135.08 158.17 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.599 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.34 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 89.8 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.505 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.0 t -75.73 143.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.551 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.3 m-85 -120.21 124.27 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.568 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.61 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -123.85 167.36 14.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.7 t -107.55 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.556 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 13.0 mt -91.17 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.601 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.59 54.23 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.9 -62.81 4.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -53.75 129.8 34.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 181' ' ' ILE . 75.3 mt-30 -85.73 150.47 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.396 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.701 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.16 22.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.46 110.0 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.44 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.551 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.1 117.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.88 116.05 27.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 89.8 m -106.12 135.43 47.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.76 137.72 55.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.527 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.35 151.92 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.747 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.679 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.7 p-80 -140.64 170.6 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.5 mm-40 -148.61 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.199 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.679 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.4 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.006 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.431 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.97 66.14 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.75 -52.09 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.791 2.328 . . . . 0.0 112.109 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 97.6 m-20 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.845 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 52.7 m-85 70.09 80.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.845 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 18.8 p-90 158.81 127.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.339 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.15 29.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.586 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.5 ttp180 -165.73 136.69 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.331 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' TRP . . . . . 0.747 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.3 t-105 -107.6 138.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.51 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.6 mtm180 -125.37 152.25 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.167 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.29 111.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.675 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 80.4 tt0 -116.39 124.73 50.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.119 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.665 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.7 m95 -120.63 116.91 26.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.91 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -98.63 119.78 37.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.353 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.701 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.0 m-85 -117.48 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.672 ' O ' ' O ' ' A' ' 179' ' ' PHE . 16.8 p -50.07 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . 0.705 ' O ' ' OG1' ' A' ' 182' ' ' THR . 9.7 tp -164.27 151.34 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.7 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.926 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.5 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 1.029 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 82.4 Cg_exo -34.44 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.823 0 C-N-CA 123.438 2.759 . . . . 0.0 112.669 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.926 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 69.0 Cg_endo -79.87 -4.23 13.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.841 2.361 . . . . 0.0 112.15 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' THR . . . . . 1.062 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.28 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 1.101 ' HB2' ' C ' ' A' ' 216' ' ' VAL . . . 65.76 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 1.058 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 0.8 OUTLIER -106.72 -115.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.836 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 2.8 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.759 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.85 111.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.39 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.439 ' CG2' ' OD1' ' A' ' 211' ' ' ASP . 3.8 p -165.79 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . 0.574 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -150.35 147.79 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.778 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 64.9 mt -149.42 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.264 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -142.33 130.24 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 48.0 t -132.64 136.65 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . 0.783 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 21.6 t-160 -126.55 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.953 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.57 87.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.779 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.9 p90 -100.08 87.76 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' GLU . . . . . 0.805 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.2 tt0 -129.46 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.317 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . 0.805 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 89.3 m-20 114.8 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.382 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.63 -129.14 1.09 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -172.84 99.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.08 129.17 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' GLN . . . . . 0.705 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 81.5 mt-30 -136.77 154.12 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . 0.425 ' O ' ' CD2' ' A' ' 206' ' ' LEU . 7.9 tt -122.28 87.21 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.9 t -90.07 122.27 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.581 ' HG ' ' HH ' ' A' ' 239' ' ' TYR . 33.0 t -149.64 147.23 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 209' ' ' HIS . 14.8 p80 -157.86 145.13 18.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.165 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -135.48 129.08 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . 0.439 ' OD1' ' CG2' ' A' ' 191' ' ' VAL . 64.4 m-20 -103.6 129.87 50.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.22 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 96.7 mt -127.15 154.88 37.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 0.0 110.982 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -150.2 102.69 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.322 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' ASP . . . . . 0.642 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 99.7 m-20 -118.88 166.09 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.681 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' SER . . . . . 1.058 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 23.5 p -117.84 103.39 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' VAL . . . . . 1.101 ' C ' ' HB2' ' A' ' 186' ' ' ALA . 2.8 p -91.88 165.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.661 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . 1.062 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.4 pt20 -102.64 128.03 49.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 1.029 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 67.5 t -85.99 137.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.619 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.921 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.5 t -130.99 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' SER . . . . . 0.489 ' O ' ' CG2' ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.28 -163.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 21.4 p-10 -86.81 -62.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.497 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 98.2 t -70.05 -24.7 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -74.0 -56.72 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.921 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.0 p -54.6 -36.9 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.517 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.14 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -57.06 -30.55 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -67.61 -38.78 84.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -67.72 -54.01 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.354 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.12 -27.36 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -74.83 -36.75 62.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.48 -41.21 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.454 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 177' ' ' TRP . 53.9 mt -70.09 -44.42 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -57.11 -46.98 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.474 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.98 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' GLU . . . . . 0.445 ' OE1' ' OH ' ' A' ' 131' ' ' TYR . 69.4 mt-10 -60.15 -44.16 95.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' ASN . . . . . 0.42 ' OD1' ' NH2' ' B' ' 544' ' ' ARG . 92.6 m-20 -59.98 -40.19 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.85 -34.32 73.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.492 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . 0.581 ' HH ' ' HG ' ' A' ' 208' ' ' SER . 37.3 t80 -68.5 -44.41 74.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -68.17 -38.95 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 19.0 p -61.53 -45.74 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.73 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.553 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.6 mm -69.18 -47.51 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.67 -34.23 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.83 -42.98 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' A' ' 250' ' ' MET . 24.1 t-20 -62.07 -34.68 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 247' ' ' TYR . . . . . 0.589 ' OH ' ' OG1' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.89 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . 0.579 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 12.5 tp60 -73.21 -50.94 19.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 249' ' ' THR . . . . . 0.541 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.0 m -64.7 -34.85 79.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 250' ' ' MET . . . . . 0.474 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.1 ptp -72.87 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.3 p -112.95 -10.13 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 252' ' ' ASP . . . . . 0.802 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 2.7 p30 -132.06 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 253' ' ' THR . . . . . 0.612 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 3.9 m 175.74 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 254' ' ' THR . . . . . 0.466 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 6.8 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -47.63 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -64.15 -11.85 34.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.466 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.23 -18.19 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.01 -91.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.616 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 259' ' ' ARG . . . . . 0.901 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.7 ttt180 -98.64 174.41 6.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 260' ' ' ARG . . . . . 0.901 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 18.4 mmm180 -109.19 153.2 24.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . 0.403 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 53.4 tt0 -83.66 -11.22 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.66 133.22 3.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 263' ' ' PRO . . . . . 0.717 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 75.8 Cg_exo -43.92 135.38 7.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.869 2.38 . . . . 0.0 112.109 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 264' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 263' ' ' PRO . 6.1 m -37.74 -39.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 33.9 p -64.15 -5.46 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 266' ' ' ARG . . . . . 0.679 ' N ' ' O ' ' A' ' 263' ' ' PRO . 4.7 ttm180 54.13 55.61 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.7 mttt -16.73 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.614 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 269' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 95.9 mt -50.3 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.538 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . 0.809 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.3 m-20 -117.09 58.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 271' ' ' TRP . . . . . 0.616 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.0 m95 -21.5 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.9 t-20 -44.54 -25.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . 1.19 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 0.8 OUTLIER -99.92 -7.73 24.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.657 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 274' ' ' ILE . . . . . 0.616 ' N ' ' O ' ' A' ' 271' ' ' TRP . 8.0 mm -103.21 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . 0.719 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.2 mt -111.18 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 276' ' ' SER . . . . . 1.31 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.94 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 1.19 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 75.3 t80 -30.92 43.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 278' ' ' LYS . . . . . 1.31 ' N ' ' O ' ' A' ' 276' ' ' SER . 31.6 mtmm -107.64 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.562 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.5 mt 54.18 3.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.1 0.0 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 51.8 tttp . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.509 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 302' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 34.6 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -42.77 -51.23 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -55.35 -34.12 63.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.472 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . 0.503 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.68 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.435 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 46.9 tp -57.25 -40.57 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.01 -40.79 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.6 m -68.1 -37.17 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.11 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.349 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.36 -38.35 84.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . 0.405 ' OD1' ' NE ' ' B' ' 315' ' ' ARG . 47.1 t0 -68.29 -33.65 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.82 -43.75 74.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.1 mmm -64.36 -25.63 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 315' ' ' ARG . . . . . 0.578 HH11 ' HG2' ' B' ' 315' ' ' ARG . 51.0 mtt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.64 147.75 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.65 128.42 21.08 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.825 2.35 . . . . 0.0 112.04 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -71.48 -4.02 14.17 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.846 2.364 . . . . 0.0 112.061 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -80.59 -17.81 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -123.91 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.33 -40.88 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.75 -60.76 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.67 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.66 -55.75 26.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.5 tp -47.18 -48.92 23.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.447 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.1 t -57.13 -49.69 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.393 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.33 -40.73 97.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.479 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 61.3 tp -55.55 -41.06 72.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.485 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -41.21 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -57.81 -37.95 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.22 -29.08 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.59 84.62 9.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.1 -5.57 15.08 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.082 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 97.4 p -89.37 -6.4 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 88.9 mt -119.03 20.87 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.632 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 12.0 t -64.11 -55.86 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.41 -50.34 73.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.77 -36.18 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . 0.47 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 72.8 mt -79.05 -28.67 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' LEU . . . . . 0.638 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 39.3 mt -81.47 12.42 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.0 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.4 p -119.41 -15.53 9.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 89.4 t -105.83 120.06 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -87.86 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.5 OUTLIER -129.32 165.91 29.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.483 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.44 125.24 5.85 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.829 2.353 . . . . 0.0 112.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.73 122.53 17.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.67 148.81 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.1 pt -102.98 136.37 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.715 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' ALA . . . . . 0.728 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.66 33.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -114.33 143.39 44.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.971 ' O ' ' N ' ' B' ' 356' ' ' GLY . 61.9 t0 -111.98 81.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 67.0 mmtt -37.28 -62.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' B' ' 353' ' ' LYS . 98.0 t -39.54 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.594 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.3 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.603 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.971 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.67 70.63 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.03 154.89 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.619 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' ASP . . . . . 0.728 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.3 m-20 -94.77 143.03 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . 0.683 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.9 p90 -139.62 135.75 33.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.15 156.63 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.429 ' HA ' HD22 ' B' ' 365' ' ' ASN . 66.2 mt -108.6 158.56 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 362' ' ' CYS . . . . . 0.439 ' O ' ' OD1' ' B' ' 365' ' ' ASN . 24.5 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 363' ' ' ASP . . . . . 0.638 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.0 t70 -75.48 -10.32 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 364' ' ' TYR . . . . . 0.449 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 38.5 m-85 -88.38 -18.22 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 365' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' B' ' 362' ' ' CYS . 35.8 p-10 -123.21 24.76 8.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 366' ' ' ARG . . . . . 0.422 ' CD ' ' CZ ' ' B' ' 371' ' ' TYR . 31.0 ttp180 -119.92 129.85 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -122.2 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.73 1.75 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.26 8.65 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.573 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 370' ' ' SER . . . . . 1.078 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.6 p -122.36 161.36 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 371' ' ' TYR . . . . . 1.112 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 83.6 m-85 -118.3 150.83 38.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . 0.616 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.5 ttp180 -98.82 124.71 43.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 373' ' ' SER . . . . . 0.582 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.2 t -79.56 133.8 58.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.773 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 374' ' ' PRO . . . . . 0.411 ' HA ' HH21 ' B' ' 372' ' ' ARG . 61.2 Cg_endo -75.91 -14.81 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.863 2.375 . . . . 0.0 112.197 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -85.87 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.641 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.5 p -83.17 -18.58 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 377' ' ' ASN . . . . . 0.582 ' HA ' ' O ' ' B' ' 373' ' ' SER . 19.5 t30 70.18 40.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.578 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -141.57 137.88 32.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 379' ' ' TYR . . . . . 1.112 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 46.0 m-85 -65.7 140.41 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.759 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.4 6.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.379 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 1.078 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.4 Cg_exo -65.47 120.05 7.19 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.973 2.448 . . . . 0.0 112.317 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -41.55 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.968 2.446 . . . . 0.0 112.279 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.619 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.47 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . 0.589 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 97.6 mt-10 -111.64 -72.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.07 66.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.491 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 387' ' ' ALA . . . . . 0.6 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -64.0 127.25 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.27 148.58 70.3 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 389' ' ' PRO . . . . . 0.425 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.8 Cg_endo -72.94 150.75 49.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.775 2.317 . . . . 0.0 112.146 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 95.5 p -52.72 142.89 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.76 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -67.85 -37.88 82.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -55.3 -36.85 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.5 -46.56 85.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.323 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.47 -31.89 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.323 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.616 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.6 tt0 -67.81 -38.01 82.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.403 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.14 -40.32 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -36.98 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.93 94.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 401' ' ' ASN . . . . . 0.433 ' O ' ' OD2' ' B' ' 405' ' ' ASP . 57.6 m-80 -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.374 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -72.19 -40.34 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.362 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.99 78.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.26 -29.25 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.441 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.483 ' O ' ' NH1' ' B' ' 408' ' ' ARG . 15.3 m-20 -54.6 -38.85 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -77.11 -32.86 56.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.351 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 407' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 0.1 OUTLIER -69.76 -18.6 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 408' ' ' ARG . . . . . 0.528 ' HA ' ' HD2' ' B' ' 412' ' ' PHE . 6.4 ptt-85 -83.85 -35.51 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.533 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 409' ' ' ASP . . . . . 0.448 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 32.4 t70 -85.14 -8.98 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 410' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 32.4 mt -95.85 -17.88 20.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 411' ' ' TYR . . . . . 0.717 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.516 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.786 ' CE1' ' HG3' ' A' ' 259' ' ' ARG . 74.3 m-85 -100.61 -25.89 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 413' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 99.6 mt-10 63.47 24.38 14.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.606 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.73 -154.44 25.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 415' ' ' GLY . . . . . 0.761 ' HA3' ' HD3' ' B' ' 436' ' ' LYS . . . 76.32 -163.48 53.0 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.3 t -128.65 153.78 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.48 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 80.0 p -143.65 148.49 35.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.1 m -148.2 143.91 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.369 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.79 130.23 58.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.524 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.9 m-85 -128.46 132.39 48.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.334 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 8.8 mt -119.61 158.44 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 422' ' ' TRP . . . . . 0.671 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.9 p90 -154.52 110.58 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.51 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -43.04 159.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 424' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 55.6 mt -127.91 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . 0.435 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 41.8 m-20 -87.31 -49.88 6.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.76 30.7 4.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.66 2.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -170.7 154.08 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . 0.671 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.99 172.83 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . 0.524 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.69 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 431' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 9.8 p -130.09 126.36 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.52 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.29 113.68 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 450' ' ' SER . 53.3 mt -102.87 143.16 32.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 434' ' ' ILE . . . . . 0.482 HG22 ' HB2' ' B' ' 450' ' ' SER . 0.3 OUTLIER -148.72 119.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 435' ' ' LYS . . . . . 0.64 ' O ' ' HD3' ' B' ' 436' ' ' LYS . 49.3 tttp -122.56 127.53 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 436' ' ' LYS . . . . . 0.786 ' HG3' ' CD1' ' B' ' 412' ' ' PHE . 8.6 mmtm -137.2 119.6 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.14 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.04 179.49 45.03 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 439' ' ' ASP . . . . . 0.501 ' OD2' ' NZ ' ' B' ' 442' ' ' LYS . 73.1 m-20 -50.71 128.06 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.504 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.63 9.74 76.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 74.1 m -110.4 -4.22 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.501 ' NZ ' ' OD2' ' B' ' 439' ' ' ASP . 55.4 mttp -89.23 153.89 20.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -56.91 -43.77 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.64 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 14.7 tt -95.11 135.96 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -105.79 154.69 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.43 130.68 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.225 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 448' ' ' TRP . . . . . 0.657 ' HE1' ' HG ' ' B' ' 450' ' ' SER . 5.3 t-105 -114.83 116.22 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 449' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.44 127.23 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.275 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 450' ' ' SER . . . . . 0.657 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 0.5 OUTLIER -115.96 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.911 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 95.5 mt -127.89 100.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.192 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 452' ' ' HIS . . . . . 0.496 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 2.6 m-70 -108.66 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.68 95.64 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.271 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.4 p -96.74 153.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -131.83 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.339 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.9 t -79.03 139.69 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -123.54 68.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -40.33 146.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.588 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 459' ' ' LYS . . . . . 0.571 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.5 mmtp -109.39 142.02 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -49.04 -54.12 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 35.1 p -126.73 146.55 50.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 462' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.76 48.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 59.11 -0.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.697 0.284 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.571 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 15.0 t -82.29 123.64 29.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 466' ' ' HIS . . . . . 0.528 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.5 t-160 -92.89 126.56 38.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.365 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 467' ' ' TYR . . . . . 0.591 ' HH ' HD21 ' B' ' 512' ' ' ASN . 92.0 m-85 -103.21 139.45 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.933 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -135.84 86.09 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.211 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 469' ' ' LEU . . . . . 0.567 ' CD1' ' H ' ' B' ' 470' ' ' THR . 28.4 tp -82.11 157.57 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 470' ' ' THR . . . . . 0.567 ' H ' ' CD1' ' B' ' 469' ' ' LEU . 15.8 m -157.84 62.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.049 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 471' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 16.1 m -64.68 174.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 472' ' ' THR . . . . . . . . . . . . . 51.5 m -168.77 87.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.129 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 473' ' ' VAL . . . . . 0.478 HG13 ' CZ2' ' B' ' 448' ' ' TRP . 91.7 t -69.66 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 474' ' ' MET . . . . . 0.43 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 11.6 mtp -124.81 95.95 4.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.167 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 475' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 4.6 tp -86.59 131.14 34.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -125.29 130.32 51.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.226 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -137.41 124.59 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.937 0.398 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 478' ' ' GLN . . . . . 0.616 ' HG3' ' N ' ' B' ' 479' ' ' THR . 4.4 tp-100 -138.14 158.14 44.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.414 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 479' ' ' THR . . . . . 0.616 ' N ' ' HG3' ' B' ' 478' ' ' GLN . 1.7 t -163.42 127.46 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.666 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 480' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 48.0 p30 -108.22 73.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 64.0 tttp -107.62 146.65 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 61.7 p -57.26 -46.01 83.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.64 -25.28 68.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' C ' ' B' ' 485' ' ' GLY . 6.3 t -125.86 14.81 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 110.629 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 486' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.2 m -126.01 114.0 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 487' ' ' MET . . . . . 0.483 ' O ' ' OE1' ' B' ' 478' ' ' GLN . 2.6 tmm? -125.11 118.1 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 488' ' ' ASN . . . . . 0.475 ' CG ' ' NE2' ' B' ' 478' ' ' GLN . 0.5 OUTLIER -119.01 123.99 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 489' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' B' ' 489' ' ' LEU . 1.2 tt -131.68 76.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.84 21.78 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 491' ' ' GLY . . . . . 0.643 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.89 -142.68 11.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 492' ' ' SER . . . . . 0.643 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.6 p 163.26 135.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.54 149.46 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 494' ' ' THR . . . . . . . . . . . . . 54.6 m -127.14 142.91 51.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -150.0 128.74 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -92.87 160.51 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 12.3 ttp -160.06 130.46 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.671 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.55 141.64 47.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.25 145.84 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.528 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.4 m-20 -91.28 125.23 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.484 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -120.7 160.12 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.4 m -94.2 131.83 39.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.63 122.43 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.653 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.86 -35.84 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.7 -19.82 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 6.8 t -135.52 73.48 62.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.596 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.53 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.763 2.309 . . . . 0.0 112.161 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.77 -62.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.5 mt -42.71 -49.11 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.24 71.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 512' ' ' ASN . . . . . 0.591 HD21 ' HH ' ' B' ' 467' ' ' TYR . 99.1 m-20 -62.93 -48.22 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.579 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.6 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.75 -46.56 74.11 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.33 -44.39 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.71 0.291 . . . . 0.0 110.699 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.15 -52.51 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.47 -47.21 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.82 -51.79 68.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.48 -37.56 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 37.5 tpp -64.31 -49.41 71.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.62 -45.24 93.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.721 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 522' ' ' ASN . . . . . 0.422 ' ND2' ' OH ' ' B' ' 411' ' ' TYR . 12.8 m120 -56.93 -41.46 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.62 -38.46 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.45 -24.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 525' ' ' ARG . . . . . 0.451 ' HG2' HH11 ' B' ' 525' ' ' ARG . 50.6 ttt-85 -68.7 -27.7 66.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 37.2 t -85.01 -38.69 18.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 14.4 m -66.04 -35.79 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.695 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 47.2 mt -64.93 -42.41 94.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.58 -31.27 70.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . 0.975 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.5 mt-10 -74.35 -54.48 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 531' ' ' ILE . . . . . 0.421 HG21 HD13 ' B' ' 531' ' ' ILE . 48.8 mm -64.39 -61.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 532' ' ' TYR . . . . . 0.701 ' O ' ' OG1' ' B' ' 536' ' ' THR . 14.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 533' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . 0.975 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.07 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . 0.52 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.2 tptm -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.709 ' HG1' ' H ' ' B' ' 537' ' ' LYS . 67.1 p -34.8 -58.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 537' ' ' LYS . . . . . 0.709 ' H ' ' HG1' ' B' ' 536' ' ' THR . 66.0 tttm -50.34 -53.27 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -53.2 -44.97 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 539' ' ' ILE . . . . . 0.44 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 94.4 mt -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.48 -41.95 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 541' ' ' ASN . . . . . 0.466 HD22 ' HZ2' ' B' ' 537' ' ' LYS . 95.0 m-20 -69.77 -17.2 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.33 48.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 539' ' ' ILE . 14.6 mt -68.1 -51.4 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 110.446 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 544' ' ' ARG . . . . . 0.758 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.78 170.12 16.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 545' ' ' SER . . . . . 0.758 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 36.1 t -142.2 137.9 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.19 -43.47 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -82.94 138.6 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 548' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.09 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 83.3 mt -79.51 112.69 30.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.558 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 550' ' ' PRO . . . . . 0.574 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.2 Cg_exo -46.51 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.846 2.364 . . . . 0.0 112.091 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.574 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.0 p-10 -25.25 145.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -129.87 116.16 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.26 -24.81 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' B' ' 558' ' ' LEU . 44.2 mmtm -52.52 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.67 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -57.53 -46.9 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.751 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.88 -29.63 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' B' ' 554' ' ' LYS . 6.9 mp -77.84 -30.34 51.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -73.57 -36.32 65.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.23 -40.51 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.792 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 561' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' B' ' 564' ' ' GLN . 76.4 mt-10 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.878 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.9 mt -49.06 -40.76 32.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.656 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 563' ' ' SER . . . . . 0.795 ' O ' ' N ' ' B' ' 565' ' ' VAL . 60.7 m -61.15 -76.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.5 pt20 -36.67 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.878 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.6 t -72.09 -42.73 67.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.7 mt -81.42 -35.58 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.4 p -70.37 -19.51 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -117.56 6.6 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.3 ttt180 -160.98 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.899 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.7 tt0 139.81 128.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.672 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 571' ' ' ILE . . . . . 0.899 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 54.1 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 601' ' ' MET . . . . . 0.733 ' O ' ' SG ' ' C' ' 602' ' ' CYS . 76.4 mmm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 602' ' ' CYS . . . . . 0.733 ' SG ' ' O ' ' C' ' 601' ' ' MET . 1.0 OUTLIER 62.19 5.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 603' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' C' ' 601' ' ' MET . 55.9 m-20 -49.83 -37.8 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.486 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 604' ' ' LYS . . . . . 0.638 ' HZ1' ' CE ' ' C' ' 607' ' ' MET . 0.0 OUTLIER -69.69 -52.25 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -55.11 -28.89 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 606' ' ' PHE . . . . . 0.66 ' CD2' ' SG ' ' C' ' 602' ' ' CYS . 0.9 OUTLIER -75.73 -53.59 8.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 607' ' ' MET . . . . . 0.638 ' CE ' ' HZ1' ' C' ' 604' ' ' LYS . 43.8 ttp -72.78 -36.83 67.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 608' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' C' ' 604' ' ' LYS . 71.9 t-105 -56.8 -16.0 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 609' ' ' ALA . . . . . 0.448 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.4 -50.7 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.595 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 610' ' ' LEU . . . . . 0.702 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.6 mp -66.26 2.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 611' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' C' ' 609' ' ' ALA . 17.7 tptm -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -70.38 -4.24 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 613' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.89 58.44 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 614' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' C' ' 617' ' ' GLU . 6.5 m-20 -63.84 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.568 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 615' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.3 pp -44.97 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' C ' ' C' ' 614' ' ' ASP . 65.8 t0 -77.76 -27.46 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 617' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' C' ' 614' ' ' ASP . 21.0 tp10 -81.54 -49.88 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 618' ' ' VAL . . . . . 0.666 ' O ' ' CD2' ' C' ' 621' ' ' TYR . 2.3 m -62.86 -28.36 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.556 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -66.18 -21.89 66.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 620' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 93.1 m-20 -75.37 -45.38 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 621' ' ' TYR . . . . . 0.887 ' CD1' ' N ' ' C' ' 622' ' ' VAL . 0.1 OUTLIER -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 622' ' ' VAL . . . . . 0.887 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.2 p -57.73 -27.85 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 623' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.74 -16.76 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -64.75 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.42 0.1 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.5 mt-10 34.24 95.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -141.03 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 628' ' ' VAL . . . . . 0.505 ' CG2' ' OH ' ' C' ' 621' ' ' TYR . 1.6 t -121.97 76.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -173.09 5.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 631' ' ' THR . . . . . 0.485 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.11 87.67 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 632' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' C' ' 631' ' ' THR . 48.1 tp -31.35 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.513 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 71.7 mm-40 -71.67 -76.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.71 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 635' ' ' GLY . . . . . . . . . . . . . . . -163.43 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 636' ' ' ARG . . . . . 0.585 HH21 ' CD2' ' C' ' 640' ' ' HIS . 67.3 mtp180 -127.88 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 637' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.7 mptp? -108.38 157.01 37.56 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 638' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.3 Cg_endo -73.7 25.01 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.874 2.383 . . . . 0.0 112.103 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 639' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' C' ' 637' ' ' LYS . 0.6 OUTLIER -117.74 -16.36 10.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 640' ' ' HIS . . . . . 0.585 ' CD2' HH21 ' C' ' 636' ' ' ARG . 21.9 t60 -75.22 -43.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 641' ' ' TYR . . . . . 0.499 ' HH ' ' NH1' ' C' ' 636' ' ' ARG . 66.0 m-85 -71.67 -36.0 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.464 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 642' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.99 75.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.05 -48.47 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.526 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 644' ' ' ASP . . . . . 0.498 ' OD2' ' OE2' ' C' ' 678' ' ' GLU . 2.9 t0 -60.6 -35.73 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.495 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 645' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 34.9 t -160.89 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.587 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 646' ' ' GLY . . . . . 0.681 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.01 34.13 4.46 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 647' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 35.9 tt0 51.67 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.815 0.341 . . . . 0.0 110.577 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 648' ' ' LEU . . . . . 0.855 ' N ' HD12 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.57 7.0 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -115.76 -12.64 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 650' ' ' ILE . . . . . 0.654 HD13 ' O ' ' C' ' 646' ' ' GLY . 1.2 mp -87.56 -36.13 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 0.695 HD13 ' H ' ' C' ' 652' ' ' GLU . 0.2 OUTLIER -62.33 -52.91 61.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 652' ' ' GLU . . . . . 0.695 ' H ' HD13 ' C' ' 651' ' ' LEU . 12.1 pt-20 -56.21 -22.6 30.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.489 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 653' ' ' PHE . . . . . 0.972 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.2 t80 -75.81 -97.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 654' ' ' LEU . . . . . 0.517 ' H ' ' HB3' ' C' ' 653' ' ' PHE . 0.3 OUTLIER -41.39 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 655' ' ' LEU . . . . . 0.972 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.94 -47.89 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.26 -25.43 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.532 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 658' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' C' ' 659' ' ' ALA . . . -65.35 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 659' ' ' ALA . . . . . 0.728 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.592 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 660' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' C' ' 662' ' ' ASN . 18.0 m-20 -57.39 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 661' ' ' ILE . . . . . 0.728 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.8 tp -66.01 1.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 662' ' ' ASN . . . . . 1.062 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.6 m-20 -163.66 -18.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 663' ' ' ALA . . . . . 0.777 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.62 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 0.0 110.592 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 664' ' ' PRO . . . . . 1.062 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 76.4 Cg_exo -46.98 120.79 4.45 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.866 2.377 . . . . 0.0 112.18 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -125.85 -50.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 666' ' ' LYS . . . . . 0.402 ' CD ' ' N ' ' C' ' 666' ' ' LYS . 1.6 mptm? -78.84 -16.11 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 667' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -80.49 -6.3 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.534 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 16.5 tt -176.88 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.21 168.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 671' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -72.48 -30.5 12.27 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.889 2.393 . . . . 0.0 112.12 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.39 -49.09 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 673' ' ' LEU . . . . . 0.612 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.77 66.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 674' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.1 t -51.81 -40.91 61.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 675' ' ' ALA . . . . . 0.621 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.52 -29.97 61.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 676' ' ' VAL . . . . . 0.612 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 17.9 t -47.19 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.78 39.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 678' ' ' GLU . . . . . 0.621 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 62.3 mm-40 -124.47 -28.63 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.34 72.35 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 680' ' ' HIS . . . . . 0.895 ' O ' ' N ' ' C' ' 682' ' ' SER . 64.6 m80 -71.94 -53.53 12.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.29 -5.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 682' ' ' SER . . . . . 0.895 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.3 t -67.39 -24.24 65.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.618 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 683' ' ' CYS . . . . . 0.699 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 9.6 p -90.96 -48.71 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 684' ' ' VAL . . . . . 0.699 ' N ' ' SG ' ' C' ' 683' ' ' CYS . 92.2 t -41.82 -34.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 685' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' C' ' 687' ' ' LEU . 99.0 mttt -62.49 -73.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 686' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' C' ' 686' ' ' LEU . 3.8 mm? -62.93 1.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 687' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.9 -70.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 10.8 mp -45.65 -21.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.508 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 689' ' ' SER . . . . . 0.428 ' N ' ' C ' ' C' ' 687' ' ' LEU . 13.2 m -55.72 -21.64 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -99.57 -6.31 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 691' ' ' GLY . . . . . 1.08 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.75 -74.92 0.42 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 692' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.22 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.636 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 693' ' ' ASP . . . . . 1.08 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.6 OUTLIER 33.06 -128.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -152.56 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.56 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 5.5 t -93.43 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 697' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' C' ' 664' ' ' PRO . 0.4 OUTLIER -140.13 23.51 2.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.79 20.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 699' ' ' PRO . . . . . 0.629 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 74.8 Cg_exo -44.84 -27.68 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.162 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 700' ' ' ASP . . . . . 0.629 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.7 t70 157.69 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.85 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 702' ' ' LEU . . . . . 0.652 ' O ' ' C ' ' C' ' 703' ' ' THR . 2.9 tt -53.84 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 703' ' ' THR . . . . . 0.652 ' C ' ' O ' ' C' ' 702' ' ' LEU . 11.4 p 16.22 -95.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 704' ' ' ALA . . . . . 0.431 ' HA ' ' HB1' ' C' ' 707' ' ' ALA . . . -106.59 -18.67 13.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 705' ' ' LEU . . . . . 0.571 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 0.2 OUTLIER -62.82 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.76 15.2 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 65.1 p -139.83 -142.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -148.78 -4.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -72.59 151.87 42.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -71.61 -20.43 61.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.33 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.683 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 713' ' ' ILE . . . . . 0.471 ' O ' ' CD2' ' C' ' 716' ' ' LEU . 7.8 mt -70.05 -37.67 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -52.04 -29.95 23.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.25 14.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 716' ' ' LEU . . . . . 0.865 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.3 OUTLIER -161.04 98.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.556 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 717' ' ' LEU . . . . . 0.865 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 12.9 mt 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 718' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 40.9 tt0 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' A' ' 7' ' ' ARG . 56.9 ttt-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 10.8 p -54.07 94.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -45.94 162.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.607 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -64.92 -33.61 76.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -39.35 87.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.5 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -63.72 -35.88 82.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.5 t -65.33 -43.71 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -61.56 -39.75 92.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.722 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 16' ' ' ILE . 91.2 mt -65.38 -47.4 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.496 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.69 75.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.87 -41.36 91.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.15 -44.83 87.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.667 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.69 -46.44 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.539 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 68.2 p -76.06 8.49 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.77 15.35 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.91 81.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.528 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.13 167.48 21.75 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.843 2.362 . . . . 0.0 112.061 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.92 116.26 4.6 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.725 2.283 . . . . 0.0 112.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.11 21.48 35.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.528 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 41.3 mt-10 -149.33 37.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 0.0 110.551 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -73.95 -48.89 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.03 -57.42 12.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 39.9 mp0 -44.43 -54.43 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.548 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.79 -42.57 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -59.16 -50.83 72.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.672 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -60.08 -37.93 81.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.09 -42.04 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.07 -41.86 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.38 -54.82 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.32 -34.79 72.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.595 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.8 mt -73.17 -49.79 26.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.74 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.3 t30 46.61 49.72 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.545 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 29.0 t-20 -168.68 79.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -51.95 -37.82 54.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.21 -44.17 71.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.545 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 95.8 mt -77.25 -30.88 54.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.1 tp -62.69 -38.79 91.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.13 -35.55 80.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.649 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -40.97 -59.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.16 -56.8 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.47 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.36 -36.96 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.4 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.459 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.6 -56.57 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.564 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 69.0 tp60 -33.63 -45.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 91.4 t80 -60.0 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -46.91 -30.97 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 61' ' ' GLN . 82.4 mtp -68.84 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 57' ' ' TYR . 6.8 p-10 -67.9 10.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.617 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.4 mm100 -124.52 24.73 7.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.86 44.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.8 m -58.85 111.33 3.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.69 115.22 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.87 2.38 . . . . 0.0 112.22 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 11.5 p -109.37 165.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 60.1 tttm -125.19 103.96 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.668 ' O ' ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.639 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.668 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -77.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.08 0.32 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.44 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.598 ' C ' ' O ' ' A' ' 70' ' ' TYR . 65.7 t0 20.22 39.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 1.069 ' O ' ' N ' ' A' ' 74' ' ' VAL . 54.1 t0 -98.72 19.37 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.7 ' C ' ' O ' ' A' ' 72' ' ' ASP . 16.1 mm100 -0.2 50.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.069 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p -63.86 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.541 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 57.3 mt -113.39 152.31 30.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.02 105.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.13 -176.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -78.82 -31.28 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -64.01 -23.56 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.538 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.65 50.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.46 99.92 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.627 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 55.3 tp -49.62 -51.48 37.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.14 -0.73 25.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -116.11 1.26 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.19 -15.74 9.34 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.639 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.68 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.538 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.52 -170.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 62.0 mt -118.35 157.35 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.69 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 21.4 t0 -139.35 89.04 12.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.0 -36.65 81.72 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' A' ' 141' ' ' CYS . 86.4 mtt180 -59.46 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.477 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.648 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.7 t-20 -76.5 -20.37 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.513 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.69 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.2 mtmp? 62.73 62.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.525 ' CD1' ' OD1' ' A' ' 92' ' ' ASN . 24.5 pt -146.47 154.45 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.822 ' O ' ' N ' ' A' ' 109' ' ' GLN . 3.9 t -92.69 133.05 36.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.707 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.3 p90 -140.14 136.63 33.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.448 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 62.0 tttm -88.68 113.42 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.583 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.84 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 48.2 t80 -82.72 133.11 35.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.666 ' H ' ' HB3' ' A' ' 105' ' ' ALA . 17.4 t0 -104.54 90.11 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.58 ' ND1' ' H ' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.48 -67.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.4 mt -47.44 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 99' ' ' ASP . 85.6 mtm180 -52.76 156.3 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -88.84 2.24 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.19 150.22 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.84 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.824 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 66.6 m -95.56 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.854 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.78 54.5 0.28 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.818 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.0 Cg_endo -73.47 -177.84 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.879 2.386 . . . . 0.0 112.068 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 3.5 mt-30 -160.1 124.55 2.11 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.11 130.95 17.1 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.07 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -122.87 102.47 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -75.47 88.41 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.7 p -46.87 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.537 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -76.1 -30.07 58.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.86 35.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.73 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 34.6 tp -104.14 3.35 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.415 ' NZ ' ' O ' ' A' ' 145' ' ' GLY . 4.5 mmtm -54.01 -41.88 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 76.0 mt-30 -39.19 -55.98 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.534 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -62.59 -47.55 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.0 tmm_? -53.89 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.7 m-20 -25.39 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.52 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.2 m -51.12 -48.55 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.431 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.4 t0 -40.4 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.57 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.0 m -47.93 -46.25 31.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.29 -51.42 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.81 -12.3 60.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.67 ' NH2' ' HZ3' ' A' ' 133' ' ' LYS . 27.4 ttt-85 -66.41 -32.7 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.67 -39.3 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.549 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.9 t80 -54.74 -38.81 67.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 134' ' ' ASP . 86.1 t -74.68 -40.55 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.67 ' HZ3' ' NH2' ' A' ' 129' ' ' ARG . 95.1 mttt -76.2 26.03 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.52 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 79.7 m-20 -147.57 7.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.677 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 70.2 m80 -150.99 -21.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.7 m-85 -114.72 106.44 52.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.44 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.54 -57.27 2.29 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.82 2.347 . . . . 0.0 112.027 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -127.5 50.08 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.87 163.54 12.63 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -135.03 158.21 44.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.595 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -129.57 162.32 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.497 ' HG1' ' H ' ' A' ' 75' ' ' LEU . 89.6 m -161.44 97.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.59 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 41.9 t -75.77 143.48 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.553 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.4 m-85 -120.25 124.33 45.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.415 ' O ' ' NZ ' ' A' ' 118' ' ' LYS . . . -109.81 84.51 0.37 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -123.77 167.32 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 t -107.53 115.38 30.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.558 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 12.4 mt -91.19 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.607 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.61 54.22 9.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.87 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -53.74 129.78 34.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.665 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.607 ' H ' HG22 ' A' ' 181' ' ' ILE . 78.8 mt-30 -85.8 150.5 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.378 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.711 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.18 22.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.48 109.95 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.445 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.3 mt -98.06 117.03 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.84 116.06 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.243 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 74.0 m -106.12 135.44 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.8 mt -122.81 137.74 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.218 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.517 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.33 151.9 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.739 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.91 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.209 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.667 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.67 170.63 15.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.951 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.1 mm-40 -148.63 77.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.191 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.667 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.38 147.43 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.0 OUTLIER -167.97 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.341 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.6 Cg_endo -60.64 -52.16 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.818 2.345 . . . . 0.0 112.13 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.87 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.465 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 11.4 m120 -121.95 -10.46 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.838 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.5 m-85 70.01 80.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.838 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.6 p-90 158.72 127.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.754 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -135.97 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.87 163.12 29.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.617 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 27.9 ttp180 -165.74 136.67 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.351 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' TRP . . . . . 0.739 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.6 t-105 -107.62 138.89 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.509 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 54.7 mtm180 -125.36 152.27 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.233 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.31 111.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.099 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.674 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 79.9 tt0 -116.35 124.66 50.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.667 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.3 m95 -120.59 116.95 26.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.927 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -98.63 119.85 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.373 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.711 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.5 m-85 -117.49 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.375 . . . . 0.0 110.794 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 18.0 p -50.09 -130.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . 0.702 ' O ' ' OG1' ' A' ' 182' ' ' THR . 9.9 tp -164.32 151.35 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.9 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.42 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.452 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 1.017 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.8 Cg_exo -34.34 12.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.838 0 C-N-CA 123.46 2.774 . . . . 0.0 112.679 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.9 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.9 Cg_endo -79.86 -4.29 13.3 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.826 2.351 . . . . 0.0 112.136 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' THR . . . . . 1.067 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.263 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 1.116 ' HB2' ' C ' ' A' ' 216' ' ' VAL . . . 65.93 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.943 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 1.037 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.5 mt-30 -106.76 -115.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.241 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.831 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.76 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.429 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.437 ' CG2' ' OD1' ' A' ' 211' ' ' ASP . 3.5 p -165.71 115.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.535 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . 0.565 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.6 157.84 20.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -150.36 147.82 28.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 68.6 mt -149.46 134.07 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.226 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.35 130.23 21.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.708 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.62 136.66 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.171 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . 0.766 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.53 141.58 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.961 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 44.7 t80 -145.58 87.13 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.77 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.7 p90 -100.06 87.76 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' GLU . . . . . 0.798 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.3 tt0 -129.43 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.292 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . 0.798 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.8 m-20 114.82 2.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.65 -129.08 1.08 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.6 t30 -172.84 99.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.1 t -127.06 129.14 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.519 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' GLN . . . . . 0.708 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.7 mt-30 -136.74 154.21 50.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 21.3 tp -122.31 87.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.7 t -90.06 122.19 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 23.3 t -149.56 147.25 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.957 0.408 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . 0.47 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 34.5 p80 -157.86 145.1 18.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.229 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -135.43 129.04 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.924 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . 0.437 ' OD1' ' CG2' ' A' ' 191' ' ' VAL . 65.7 m-20 -103.57 129.82 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.241 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 95.9 mt -127.19 154.85 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -150.15 102.64 3.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.377 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' ASP . . . . . 0.643 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.7 t0 -118.89 166.1 13.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.685 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' SER . . . . . 1.037 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 25.7 p -117.8 103.4 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' VAL . . . . . 1.116 ' C ' ' HB2' ' A' ' 186' ' ' ALA . 2.8 p -91.95 165.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . 1.067 ' HA ' ' O ' ' A' ' 185' ' ' THR . 8.0 pt20 -102.62 128.05 49.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 1.017 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 65.1 t -86.03 137.53 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.634 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.915 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.05 -99.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' SER . . . . . 0.49 ' O ' ' CG2' ' A' ' 224' ' ' THR . 0.2 OUTLIER -100.25 -163.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.5 p-10 -86.87 -62.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.523 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 97.9 t -70.13 -24.67 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 226' ' ' LYS . 36.4 mt-30 -73.98 -56.73 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.52 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.915 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.2 p -54.68 -36.87 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.07 14.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' LYS . . . . . 0.58 ' HG3' ' N ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -57.07 -30.56 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.412 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 226' ' ' LYS . 72.9 tt0 -67.59 -38.78 84.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -67.72 -53.92 23.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.398 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.23 -27.27 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.399 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -74.9 -36.67 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.359 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.52 -41.15 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.474 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 177' ' ' TRP . 55.1 mt -70.1 -44.49 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.384 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.1 -47.01 82.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -69.58 -43.95 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.96 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.425 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' GLU . . . . . 0.449 ' OE1' ' OH ' ' A' ' 131' ' ' TYR . 68.5 mt-10 -60.18 -44.09 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.448 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' ASN . . . . . 0.463 ' O ' ' OG1' ' A' ' 241' ' ' THR . 94.1 m-20 -60.06 -40.18 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.52 -44.38 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -68.18 -38.97 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 20.1 m -61.5 -45.73 92.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.521 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.7 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.2 -47.5 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.67 -34.21 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.89 -42.96 84.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . 0.538 ' OD1' ' NZ ' ' B' ' 481' ' ' LYS . 97.9 m-20 -62.12 -34.53 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 247' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.95 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -73.25 -50.91 19.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 249' ' ' THR . . . . . 0.819 ' HA ' ' OD1' ' A' ' 252' ' ' ASP . 7.0 m -64.74 -34.82 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 36.6 mtt -72.88 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.9 p -113.0 -10.1 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 252' ' ' ASP . . . . . 0.819 ' OD1' ' HA ' ' A' ' 249' ' ' THR . 19.7 p-10 -132.12 47.79 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 253' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.3 m 175.73 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 254' ' ' THR . . . . . 0.471 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 12.3 m -53.42 -61.32 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -47.69 -57.48 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.22 -11.77 34.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.3 -18.23 30.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.0 -91.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 259' ' ' ARG . . . . . 0.728 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.0 ttt180 -98.64 174.5 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 260' ' ' ARG . . . . . 0.728 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 10.6 tpp180 -109.2 153.23 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -83.71 -11.24 57.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.61 133.24 3.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 263' ' ' PRO . . . . . 0.712 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.6 Cg_exo -43.95 135.43 7.82 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.913 2.408 . . . . 0.0 112.072 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 264' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 263' ' ' PRO . 78.7 t -37.84 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 69.8 p -64.19 -5.44 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.624 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 266' ' ' ARG . . . . . 0.667 ' N ' ' O ' ' A' ' 263' ' ' PRO . 31.2 ttm180 54.13 55.62 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 55.7 mtpt -16.8 131.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 269' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.6 OUTLIER -50.25 158.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' A' ' 273' ' ' LYS . 88.6 m-20 -117.11 58.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 271' ' ' TRP . . . . . 0.599 ' C ' ' O ' ' A' ' 270' ' ' ASP . 82.3 m95 -21.49 -55.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 270' ' ' ASP . 21.6 t-20 -44.62 -25.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . 1.234 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -99.97 -7.7 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.626 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 274' ' ' ILE . . . . . 0.597 ' N ' ' O ' ' A' ' 271' ' ' TRP . 55.6 mt -103.15 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . 0.721 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.6 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.561 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 276' ' ' SER . . . . . 1.289 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.93 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 1.234 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.9 t80 -30.95 43.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 278' ' ' LYS . . . . . 1.289 ' N ' ' O ' ' A' ' 276' ' ' SER . 68.9 mttm -107.67 80.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 91.7 mt 54.19 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.14 0.0 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 49.5 tttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.549 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 302' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 46.1 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -42.75 -51.2 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -55.33 -34.2 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.462 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.3 mt-30 -60.69 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.485 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.27 -40.62 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.407 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.9 -40.83 95.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.397 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 97.5 m -68.05 -37.21 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.422 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.346 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.32 -38.36 84.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.415 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.33 -33.64 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.37 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.86 -43.66 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.361 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.42 -25.58 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.391 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . 0.41 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 82.1 mtm180 -82.28 -12.41 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 315' ' ' ARG . . . . . 0.584 HH11 ' HG2' ' B' ' 315' ' ' ARG . 50.3 mtt-85 -100.09 -46.82 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.6 147.75 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.7 128.49 21.37 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.836 2.357 . . . . 0.0 112.0 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -71.48 -4.1 14.34 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.896 2.397 . . . . 0.0 112.048 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . 0.468 ' NE2' ' CG ' ' B' ' 488' ' ' ASN . 79.1 mt-30 -80.52 -17.83 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -123.91 39.42 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.36 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.4 42.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.66 -55.8 25.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.555 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 44.7 tp -47.11 -48.98 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.404 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.08 -49.75 74.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.29 -40.78 97.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 48.4 tp -55.5 -41.04 72.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.492 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -41.12 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.81 -37.93 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.424 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.26 -29.09 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.429 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.52 84.59 9.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -68.09 -5.58 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.736 2.291 . . . . 0.0 112.072 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 90.5 p -89.34 -6.45 56.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 98.2 mt -119.05 20.86 12.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 10.9 t -64.07 -55.92 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.32 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.74 -36.17 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.51 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 60.9 mt -79.08 -28.62 43.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.0 mt -81.51 12.46 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.572 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 54.4 p -144.17 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 53.4 p -119.37 -15.51 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.85 120.0 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.502 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -87.79 128.64 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.555 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.98 28.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.44 125.25 5.84 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.799 2.333 . . . . 0.0 112.149 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.67 122.49 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.681 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.6 148.79 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.465 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 16.7 pt -102.96 136.38 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.755 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' ALA . . . . . 0.732 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -114.33 143.34 45.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.97 ' O ' ' N ' ' B' ' 356' ' ' GLY . 50.2 t0 -111.87 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.498 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 68.6 mmtt -37.31 -62.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' B' ' 353' ' ' LYS . 94.8 t -39.48 -52.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.639 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.0 t -93.0 -25.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.97 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.7 70.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 352' ' ' ASP . 97.9 mttt -115.12 154.93 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' ASP . . . . . 0.732 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 34.1 m-20 -94.8 143.07 26.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . 0.691 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.7 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' LEU . . . . . 0.415 ' H ' ' HG ' ' B' ' 418' ' ' SER . 60.2 mt -69.13 156.66 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.584 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' B' ' 365' ' ' ASN . 66.9 mt -108.59 158.55 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 362' ' ' CYS . . . . . 0.439 ' O ' ' OD1' ' B' ' 365' ' ' ASN . 24.6 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 25.9 t70 -75.49 -10.32 59.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 364' ' ' TYR . . . . . 0.485 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 36.6 m-85 -88.34 -18.17 29.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 365' ' ' ASN . . . . . 0.444 HD22 ' HA ' ' B' ' 361' ' ' LEU . 37.3 p-10 -123.27 24.76 8.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 366' ' ' ARG . . . . . 0.412 ' CD ' ' CZ ' ' B' ' 371' ' ' TYR . 31.3 ttp180 -119.96 129.84 54.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.18 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 79.98 -98.71 1.73 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -126.31 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.561 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 370' ' ' SER . . . . . 0.986 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 19.8 p -122.38 161.33 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 371' ' ' TYR . . . . . 1.137 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.8 m-85 -118.25 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . 0.586 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.2 ttp180 -98.72 124.72 43.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 373' ' ' SER . . . . . 0.579 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 35.2 t -79.61 133.79 58.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.859 2.373 . . . . 0.0 112.238 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -85.89 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 69.5 p -83.15 -18.6 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 377' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' B' ' 373' ' ' SER . 9.9 t30 70.27 40.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -141.55 137.87 32.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 379' ' ' TYR . . . . . 1.137 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 44.1 m-85 -65.72 140.45 58.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.672 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.736 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.94 -60.45 6.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.378 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 0.986 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.44 120.05 7.18 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.005 2.47 . . . . 0.0 112.269 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.54 79.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.955 2.437 . . . . 0.0 112.328 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.62 ' CD2' ' H ' ' B' ' 384' ' ' GLU . 0.5 OUTLIER -84.48 177.56 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.51 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . 0.62 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.618 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.98 65.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.523 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.17 151.72 47.44 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 387' ' ' ALA . . . . . 0.561 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.97 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.592 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 46.1 mtm -132.23 148.55 70.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 389' ' ' PRO . . . . . 0.431 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.6 Cg_endo -72.93 150.73 49.58 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.815 2.343 . . . . 0.0 112.144 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 90.9 p -52.68 142.9 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.537 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.91 -37.79 82.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.501 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.0 tp -70.89 -42.47 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.571 ' CZ ' ' ND2' ' B' ' 377' ' ' ASN . 44.2 ttm180 -55.32 -36.78 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -63.55 -46.56 85.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -32.0 73.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.586 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.4 tt0 -67.82 -37.99 82.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.08 -40.3 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.72 -37.02 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.408 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 401' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.98 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.318 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.18 -40.35 68.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.374 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.34 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 22.0 m-20 -54.61 -38.83 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.453 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -77.08 -32.89 57.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 407' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 2.1 t80 -69.69 -18.68 63.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 408' ' ' ARG . . . . . 0.876 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.6 OUTLIER -83.8 -35.49 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.537 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 409' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 3.0 t0 -85.17 -8.94 58.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 410' ' ' LEU . . . . . 0.648 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.3 mt -95.86 -17.9 20.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 411' ' ' TYR . . . . . 0.712 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.02 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.2 m-85 -100.63 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.556 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 63.47 24.38 14.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . 0.51 ' O ' ' NE ' ' B' ' 408' ' ' ARG . . . 162.71 -154.45 25.41 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 415' ' ' GLY . . . . . 0.876 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.36 -163.5 52.97 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 7.9 t -128.6 153.76 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 18.3 p -143.65 148.48 35.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.675 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 418' ' ' SER . . . . . 0.415 ' HG ' ' H ' ' B' ' 360' ' ' LEU . 22.7 m -148.2 143.9 27.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.84 130.25 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.755 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.529 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.6 m-85 -128.44 132.38 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.61 158.43 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.74 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 422' ' ' TRP . . . . . 0.664 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.8 p90 -154.47 110.5 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.547 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -43.05 159.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.641 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 424' ' ' LEU . . . . . . . . . . . . . 55.1 mt -127.83 -147.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -87.35 -49.86 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.511 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -129.78 30.66 4.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.67 2.56 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.66 154.08 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . 0.664 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.67 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 431' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.9 p -130.06 126.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.39 113.69 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.4 mt -102.93 143.18 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 434' ' ' ILE . . . . . 0.461 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.7 mt -148.71 119.89 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -122.55 127.53 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 436' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.16 119.57 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.85 138.14 40.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.636 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.43 45.22 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.64 128.0 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.603 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.61 9.8 75.82 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 12.7 t -110.37 -4.27 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.474 ' CE ' ' OD2' ' C' ' 644' ' ' ASP . 93.9 mttt -89.18 153.86 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.513 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -56.9 -43.8 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.658 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 64.4 mt -95.15 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.705 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.84 154.69 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.67 152.41 24.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 4.0 t -149.46 130.6 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.21 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 448' ' ' TRP . . . . . 0.58 ' HE1' ' HG ' ' B' ' 450' ' ' SER . 5.6 t-105 -114.76 116.24 28.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 449' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.5 127.16 54.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 450' ' ' SER . . . . . 0.58 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.4 m -115.89 122.76 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.968 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.94 100.8 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 452' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.3 m-70 -108.67 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.75 95.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 10.0 p -96.68 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -131.79 102.2 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.328 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.4 t -79.1 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -40.31 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.671 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 459' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 461' ' ' SER . 65.1 tttm -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.0 -54.14 16.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.626 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 461' ' ' SER . . . . . 0.524 ' O ' ' NZ ' ' B' ' 459' ' ' LYS . 78.4 p -126.73 146.56 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 462' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.34 -12.82 47.99 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 463' ' ' ARG . . . . . 0.41 ' HE ' ' HA ' ' B' ' 463' ' ' ARG . 0.9 OUTLIER 59.16 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.668 0.27 . . . . 0.0 110.56 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.538 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.5 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.745 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 466' ' ' HIS . . . . . 0.534 ' ND1' ' OD1' ' B' ' 500' ' ' ASP . 0.8 OUTLIER -92.97 126.54 38.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.14 139.45 38.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.954 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -135.82 86.13 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.203 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 469' ' ' LEU . . . . . 0.557 ' CD1' ' H ' ' B' ' 470' ' ' THR . 27.6 tp -82.12 157.59 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 470' ' ' THR . . . . . 0.557 ' H ' ' CD1' ' B' ' 469' ' ' LEU . 15.9 m -157.86 62.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.066 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 471' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 17.9 m -64.64 174.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.127 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 472' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 471' ' ' SER . 54.2 m -168.79 87.54 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.135 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 473' ' ' VAL . . . . . 0.474 HG13 ' CZ2' ' B' ' 448' ' ' TRP . 96.0 t -69.65 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 474' ' ' MET . . . . . 0.459 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.1 mtp -124.81 95.98 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.175 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 475' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 46.6 tp -86.64 131.21 34.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 476' ' ' TRP . . . . . 0.503 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 51.6 m95 -125.31 130.21 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.241 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 44.6 mt -137.36 124.67 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.759 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.406 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 479' ' ' THR . . . . . 0.414 HG23 ' HB3' ' B' ' 487' ' ' MET . 7.5 t -163.42 127.47 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.691 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 480' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.15 73.74 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 481' ' ' LYS . . . . . 0.88 ' O ' ' N ' ' B' ' 485' ' ' GLY . 50.8 mtmt -107.56 146.69 31.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.31 -45.94 83.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.68 -25.24 68.77 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 484' ' ' SER . . . . . 0.455 ' O ' ' N ' ' B' ' 486' ' ' THR . 25.9 p -125.91 14.83 7.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 485' ' ' GLY . . . . . 0.88 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.6 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 486' ' ' THR . . . . . 0.47 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 16.0 p -126.04 113.94 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 487' ' ' MET . . . . . 0.414 ' HB3' HG23 ' B' ' 479' ' ' THR . 13.6 ttt -125.06 118.06 25.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 488' ' ' ASN . . . . . 0.468 ' CG ' ' NE2' ' B' ' 319' ' ' GLN . 33.6 t-20 -119.0 124.04 46.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 489' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 14.7 tp -131.7 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.36 -163.86 21.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 491' ' ' GLY . . . . . 0.643 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.64 11.06 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 492' ' ' SER . . . . . 0.643 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 77.8 p 163.19 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.484 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.51 149.48 30.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.623 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 494' ' ' THR . . . . . . . . . . . . . 54.7 m -127.12 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -149.96 128.77 12.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -92.88 160.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.494 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 36.6 tpp -160.06 130.39 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -133.5 141.65 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -172.25 145.81 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.534 ' OD1' ' ND1' ' B' ' 466' ' ' HIS . 41.6 m-20 -91.25 125.2 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -120.72 160.17 23.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.5 m -94.22 131.81 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.58 122.39 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 91.0 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.97 -35.85 77.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.64 -19.85 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 28.4 t -135.49 73.5 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.616 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.59 -172.6 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.785 2.324 . . . . 0.0 112.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -58.78 -62.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.67 -49.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.16 72.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.65 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -63.02 -48.16 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.63 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.54 74.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -57.37 -44.31 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.17 -52.57 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.589 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.45 -47.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -57.96 -51.68 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.49 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.8 tpp -64.35 -49.39 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.58 -45.29 93.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -56.87 -41.43 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.64 -38.5 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.38 -24.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 525' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' B' ' 525' ' ' ARG . 55.1 ttt-85 -68.74 -27.64 66.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.8 t -84.99 -38.79 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.643 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.0 m -66.08 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.641 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.707 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 37.1 mt -64.97 -42.36 94.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . 0.965 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.34 -54.48 7.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.625 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 531' ' ' ILE . . . . . 0.465 HG21 HD13 ' B' ' 531' ' ' ILE . 48.7 mm -64.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 532' ' ' TYR . . . . . 0.707 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 13.3 m-85 -50.28 -86.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 533' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.42 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.575 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . 0.965 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.8 tptt -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -58.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -50.39 -53.21 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -53.26 -44.93 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 539' ' ' ILE . . . . . 0.449 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 89.3 mt -61.7 -36.1 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.38 -42.05 92.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.32 48.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 539' ' ' ILE . 15.1 mt -68.16 -51.35 46.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.726 0.298 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 544' ' ' ARG . . . . . 0.786 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.86 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 545' ' ' SER . . . . . 0.786 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 39.9 t -142.17 137.87 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.553 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.14 -43.52 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -82.86 138.62 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 548' ' ' ALA . . . . . 0.52 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.47 122.1 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 551' ' ' ASP . 86.9 mt -79.47 112.73 31.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 550' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.0 Cg_exo -46.65 80.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.862 2.375 . . . . 0.0 112.087 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.565 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.31 145.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -129.91 116.14 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -85.23 -24.78 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 558' ' ' LEU . 65.8 tttm -52.58 -64.19 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -45.19 -56.66 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.706 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.58 -46.94 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.748 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 557' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.8 tm0? -65.77 -29.69 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 554' ' ' LYS . 40.9 tp -77.84 -30.27 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.62 -36.37 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.19 -40.52 81.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 561' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 564' ' ' GLN . 97.6 mt-10 -67.8 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.884 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 85.1 mt -49.14 -40.64 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.7 m -61.23 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 15.1 pt20 -36.66 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.884 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 23.6 t -72.17 -42.67 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.587 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.3 mt -81.44 -35.64 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.4 p -70.23 -19.63 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -117.47 6.6 12.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.0 ttt180 -160.95 -141.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.802 ' O ' ' CB ' ' B' ' 571' ' ' ILE . 39.3 tt0 139.72 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 571' ' ' ILE . . . . . 0.802 ' CB ' ' O ' ' B' ' 570' ' ' GLN . 3.0 tp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 75.1 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 4.2 m 62.13 5.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 603' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' C' ' 603' ' ' ASP . 67.6 t0 -49.87 -37.77 32.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 604' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' C' ' 608' ' ' TRP . 86.5 tttt -69.66 -52.29 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.0 -28.98 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -75.61 -53.73 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 607' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -72.7 -36.9 67.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 608' ' ' TRP . . . . . 0.46 ' N ' ' O ' ' C' ' 604' ' ' LYS . 75.5 t-105 -56.76 -15.97 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.578 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 609' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.51 -50.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 610' ' ' LEU . . . . . 0.604 ' H ' HD13 ' C' ' 610' ' ' LEU . 3.5 mp -66.36 2.06 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 611' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.9 tttm -102.13 -66.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -70.4 -4.21 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 613' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.94 58.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 614' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.3 m-20 -63.91 49.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.532 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 615' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.2 pp -45.06 -17.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 616' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' C' ' 614' ' ' ASP . 48.7 t0 -77.71 -27.56 50.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 617' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.6 tp10 -81.52 -49.78 10.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -28.43 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -66.14 -21.88 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 620' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -75.41 -45.39 39.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.625 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 621' ' ' TYR . . . . . 0.428 ' OH ' ' OD2' ' C' ' 627' ' ' ASP . 62.0 t80 -60.94 -59.17 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 10.3 m -57.71 -27.89 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 623' ' ' ALA . . . . . . . . . . . . . . . -56.69 -16.8 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -64.77 -76.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 625' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.86 82.45 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 626' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' C' ' 625' ' ' GLY . 9.5 tm-20 34.17 95.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 627' ' ' ASP . . . . . 0.428 ' OD2' ' OH ' ' C' ' 621' ' ' TYR . 64.9 t0 -140.96 62.65 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 628' ' ' VAL . . . . . . . . . . . . . 10.3 m -121.98 77.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -173.09 5.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 630' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' C' ' 631' ' ' THR . 40.4 ttm180 -79.06 166.89 21.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.474 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.07 87.59 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.633 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 47.0 tp -31.27 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.69 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -71.72 -76.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 634' ' ' GLY . . . . . 0.403 ' CA ' HH21 ' A' ' 266' ' ' ARG . . . -153.74 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 635' ' ' GLY . . . . . 0.531 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.78 0.18 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 636' ' ' ARG . . . . . 0.742 HH11 ' HH ' ' C' ' 641' ' ' TYR . 99.0 mtt180 -127.92 164.88 21.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 637' ' ' LYS . . . . . 0.53 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.99 37.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 638' ' ' PRO . . . . . 0.475 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.5 Cg_endo -73.67 25.04 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.846 2.364 . . . . 0.0 112.111 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 639' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' C' ' 637' ' ' LYS . 13.9 tp -117.72 -16.36 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 640' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' C' ' 674' ' ' SER . 86.3 t60 -75.23 -43.85 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.524 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 641' ' ' TYR . . . . . 0.742 ' HH ' HH11 ' C' ' 636' ' ' ARG . 67.5 m-85 -71.67 -35.92 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.557 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 642' ' ' ALA . . . . . 0.678 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.93 -44.99 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 644' ' ' ASP . . . . . 0.594 ' O ' ' OD1' ' C' ' 644' ' ' ASP . 27.4 t0 -60.67 -35.64 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.545 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 645' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.0 p -160.9 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 646' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.05 4.49 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 647' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.9 mm100 51.74 4.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 648' ' ' LEU . . . . . 0.823 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.59 7.01 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.526 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -115.74 -12.61 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 650' ' ' ILE . . . . . 0.5 ' O ' HD11 ' C' ' 654' ' ' LEU . 1.3 mm -87.47 -36.24 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 1.02 HD22 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.36 -52.88 61.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.558 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 652' ' ' GLU . . . . . 1.02 ' H ' HD22 ' C' ' 651' ' ' LEU . 72.0 mm-40 -56.22 -22.61 30.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 653' ' ' PHE . . . . . 0.974 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.2 OUTLIER -75.78 -97.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.608 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 654' ' ' LEU . . . . . 0.912 HD11 ' N ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.41 6.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.622 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 655' ' ' LEU . . . . . 0.974 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.4 tp -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.19 -25.47 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.73 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 658' ' ' GLY . . . . . . . . . . . . . . . -65.38 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 659' ' ' ALA . . . . . 0.738 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.09 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.563 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 660' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' C' ' 662' ' ' ASN . 97.7 m-20 -57.34 10.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 661' ' ' ILE . . . . . 0.738 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.6 tt -66.08 1.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 662' ' ' ASN . . . . . 1.065 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 49.6 p30 -163.63 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 663' ' ' ALA . . . . . 0.773 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.06 -33.69 0.28 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 664' ' ' PRO . . . . . 1.065 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 74.7 Cg_exo -46.93 120.87 4.48 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.834 2.356 . . . . 0.0 112.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -125.94 -50.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -78.79 -16.08 57.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 667' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.52 -6.28 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 668' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' C' ' 667' ' ' HIS . 51.0 p-80 40.62 37.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 15.7 tt -176.86 147.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.15 168.67 10.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 671' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -72.47 -30.5 12.31 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 7.6 tt -45.35 -49.11 13.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 673' ' ' LEU . . . . . 0.608 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 8.4 mp -67.83 -27.78 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 674' ' ' SER . . . . . 0.583 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.4 t -51.77 -40.89 61.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 675' ' ' ALA . . . . . 0.612 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.54 -29.97 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 676' ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 20.8 t -47.24 -66.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 677' ' ' TYR . . . . . 0.564 ' CZ ' ' OG1' ' A' ' 249' ' ' THR . 0.1 OUTLIER -77.76 39.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 678' ' ' GLU . . . . . 0.612 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 71.3 mm-40 -124.54 -28.65 3.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.29 -11.35 72.32 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 66.7 m80 -71.93 -53.57 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.593 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 681' ' ' VAL . . . . . 0.644 ' O ' HG22 ' C' ' 684' ' ' VAL . 5.3 m 43.28 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.9 m -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 683' ' ' CYS . . . . . 0.659 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.6 p -90.93 -48.65 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 684' ' ' VAL . . . . . 0.659 ' N ' ' SG ' ' C' ' 683' ' ' CYS . 3.7 m -41.93 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 685' ' ' LYS . . . . . 0.637 ' O ' ' CD1' ' C' ' 688' ' ' LEU . 64.0 tttp -62.52 -73.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.99 1.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 687' ' ' LEU . . . . . 0.525 ' H ' ' C ' ' C' ' 685' ' ' LYS . 34.9 tp -81.85 -70.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 688' ' ' LEU . . . . . 0.825 ' CD1' ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.7 -21.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.516 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 689' ' ' SER . . . . . 0.825 ' N ' ' CD1' ' C' ' 688' ' ' LEU . 58.2 m -55.81 -21.51 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -99.64 -6.33 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 691' ' ' GLY . . . . . 1.087 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.87 0.42 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 692' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 110.579 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 693' ' ' ASP . . . . . 1.087 ' N ' ' O ' ' C' ' 691' ' ' GLY . 39.4 t0 33.12 -128.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 694' ' ' LYS . . . . . 0.45 ' H ' ' CG ' ' C' ' 693' ' ' ASP . 24.6 pttm -152.51 -23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 25.4 p -156.49 73.48 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.51 -29.6 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -140.14 23.5 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.626 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.76 20.36 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 699' ' ' PRO . . . . . 0.65 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 83.1 Cg_exo -44.82 -27.71 2.58 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.881 2.387 . . . . 0.0 112.114 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 700' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 35.0 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 701' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 702' ' ' LEU . . . . . 0.646 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.0 tp -53.8 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.587 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 703' ' ' THR . . . . . 0.646 ' C ' ' O ' ' C' ' 702' ' ' LEU . 0.0 OUTLIER 16.19 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.585 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 704' ' ' ALA . . . . . 0.507 ' N ' ' OG1' ' C' ' 703' ' ' THR . . . -106.62 -18.64 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 705' ' ' LEU . . . . . 0.563 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.8 tp -62.89 -75.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.596 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.77 15.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.76 -142.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.623 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 54.5 p30 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -72.56 151.79 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -71.49 -20.51 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.4 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.99 -37.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -52.06 -29.93 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.18 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 716' ' ' LEU . . . . . 1.072 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.9 tp -161.08 98.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 717' ' ' LEU . . . . . 1.072 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.5 mp 124.14 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.597 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 718' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 7.5 tp-100 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.625 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' CD ' ' H1 ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 13.6 p -54.14 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.74 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -45.9 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 58.9 mp0 -60.51 -39.3 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -41.0 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.69 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.25 -43.78 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' NH2' ' CB ' ' A' ' 18' ' ' ALA . 8.8 tpm_? -61.53 -39.73 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.39 -47.45 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.93 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' CB ' ' NH2' ' A' ' 15' ' ' ARG . . . -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 38.2 ttmt -65.91 -41.28 91.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.51 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -65.24 -44.84 86.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 21' ' ' ILE . 96.7 mt -66.65 -46.5 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.527 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 52.1 p -75.98 8.4 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.69 15.3 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.95 81.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.555 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 15.9 Cg_endo -68.19 167.52 21.77 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.819 2.346 . . . . 0.0 112.061 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 53.5 Cg_endo -70.95 116.25 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.691 2.26 . . . . 0.0 112.125 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.14 21.47 35.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.559 ' OE2' ' ND2' ' A' ' 170' ' ' ASN . 55.7 mp0 -149.3 37.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 54.7 p90 -73.93 -48.82 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.546 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.614 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 24.2 p-10 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' OE1' ' NE ' ' B' ' 315' ' ' ARG . 97.6 mt-10 -44.5 -54.42 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.85 -42.44 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -59.2 -50.9 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -60.04 -37.87 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -64.16 -42.05 96.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -66.97 -41.91 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.35 -54.8 41.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' CD1' ' SG ' ' B' ' 308' ' ' CYS . 58.1 mt -59.35 -34.75 72.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.27 -49.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.62 49.7 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.481 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 8.1 m120 -168.63 79.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.89 -37.92 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -54.11 -44.18 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.3 -30.84 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.7 tp -62.7 -38.74 91.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.586 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -66.21 -35.53 80.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -40.94 -59.86 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.85 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.12 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.52 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.517 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -54.26 -37.08 64.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.586 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.42 -54.41 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.507 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.6 -56.6 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.537 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 51.5 tt0 -33.55 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.08 -72.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.558 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -46.95 -30.89 2.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.534 ' C ' ' H ' ' A' ' 61' ' ' GLN . 83.1 mtp -68.9 -66.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -67.85 9.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 12.2 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 83.1 m-85 23.95 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 28.1 m -58.85 111.3 3.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.616 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.64 115.19 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.897 2.398 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 10.6 p -109.34 165.93 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.456 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 63.0 tttm -125.19 103.98 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.654 ' O ' ' C ' ' A' ' 68' ' ' GLU . 44.5 mt -51.54 148.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.631 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.654 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.3 tm-20 -13.24 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.514 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.11 0.32 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.796 ' O ' ' N ' ' A' ' 72' ' ' ASP . 64.3 m-85 -137.48 14.75 2.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.582 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 70' ' ' TYR . 58.1 t0 20.14 39.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 1.064 ' O ' ' N ' ' A' ' 74' ' ' VAL . 37.7 t0 -98.75 19.44 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.707 ' C ' ' O ' ' A' ' 72' ' ' ASP . 74.3 mm-40 -0.3 50.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.064 ' N ' ' O ' ' A' ' 72' ' ' ASP . 13.7 p -63.98 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.545 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 48.2 mt -113.28 152.26 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.553 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 76' ' ' ILE . 96.2 mt -104.06 105.52 18.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' GLU . 2.8 t -130.13 -176.9 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 21.1 pt-20 -78.76 -31.29 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -64.02 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.69 50.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.49 100.0 11.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.1 tp -49.6 -51.54 36.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.66 25.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -116.1 1.19 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.22 -15.8 9.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.664 ' HG2' HH11 ' A' ' 86' ' ' ARG . 9.6 mtt-85 -108.41 168.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 54.2 m-85 -114.53 -170.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.0 tp -118.27 157.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.685 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 52.0 t0 -139.27 89.01 12.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.02 -36.71 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.852 2.368 . . . . 0.0 112.027 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.552 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.39 -75.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -76.48 -20.31 57.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.685 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 6.8 mtmp? 62.76 61.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.459 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 0.2 OUTLIER -146.48 154.43 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.814 ' O ' ' N ' ' A' ' 109' ' ' GLN . 3.5 t -92.62 133.04 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.728 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 32.7 p90 -140.14 136.62 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.449 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.1 tttt -88.67 113.37 24.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.855 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 51.8 t80 -82.63 133.09 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.642 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.667 ' H ' ' HB3' ' A' ' 105' ' ' ALA . 2.4 m-20 -104.52 90.14 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.641 ' N ' ' CD2' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.46 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 101' ' ' LEU . 4.3 mm? -47.38 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -52.73 156.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.584 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.9 2.3 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -117.18 150.26 39.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.855 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.28 79.71 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.57 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 49.7 m -95.58 -164.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t0 73.76 54.48 0.28 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.811 ' CA ' ' O ' ' A' ' 95' ' ' SER . 57.4 Cg_endo -73.49 -177.81 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.859 2.373 . . . . 0.0 112.086 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.814 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.15 124.54 2.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -47.09 130.95 17.05 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.907 2.405 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.698 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 8.1 pt-20 -122.9 102.47 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.2 p-10 -75.44 88.4 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.1 t -46.95 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.616 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t 71.95 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.8 -59.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.666 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.08 3.35 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 119' ' ' GLN . 87.2 tttt -53.96 -41.94 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 118' ' ' LYS . 93.4 mm-40 -39.2 -55.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.51 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -62.54 -47.57 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.57 ' O ' ' C ' ' A' ' 122' ' ' ASP . 9.4 tmm_? -53.93 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 121' ' ' ARG . 42.2 t0 -25.51 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.19 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.2 m -51.15 -48.57 61.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.448 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.2 t0 -40.41 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 22.6 m -48.01 -46.23 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.47 33.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.73 -12.33 60.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.639 ' O ' ' NE ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.71 74.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.635 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.65 -39.25 24.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.557 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.1 t80 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 134' ' ' ASP . 6.4 p -74.75 -40.51 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.503 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.455 ' N ' HG13 ' A' ' 132' ' ' VAL . 51.8 tttm -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.529 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 73.5 m-20 -147.56 7.68 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.749 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 59.7 m-70 -151.04 -21.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.553 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 39.2 m-85 -114.69 106.54 51.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.64 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.796 2.331 . . . . 0.0 112.028 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -127.53 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.59 12.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -135.07 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 0.0 110.594 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 2.5 p -129.51 162.27 28.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.407 ' HG1' ' H ' ' A' ' 75' ' ' LEU . 98.7 m -161.37 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.5 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 46.1 t -75.78 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.534 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 57.4 m-85 -120.18 124.24 45.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.7 84.52 0.37 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 147' ' ' SER . 30.8 ttpt -123.78 167.37 14.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.855 0.359 . . . . 0.0 110.519 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.406 ' H ' ' HG2' ' A' ' 146' ' ' LYS . 14.6 p -107.58 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.405 HG22 HD11 ' A' ' 148' ' ' ILE . 35.6 mm -91.17 104.06 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 54.5 t0 46.72 54.22 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.82 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -53.77 129.79 34.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.325 . . . . 0.0 110.65 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.593 ' H ' HG22 ' A' ' 181' ' ' ILE . 79.5 mt-30 -85.73 150.48 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.396 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.721 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.5 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 9.1 mm -108.48 110.06 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.534 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 54.3 mt -98.12 117.09 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.89 116.06 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.229 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 52.9 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.76 137.71 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.521 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.32 151.93 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.978 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.725 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.89 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.251 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 1.2 p80 -140.66 170.61 15.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.965 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.7 mm-40 -148.65 77.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.218 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -65.36 147.45 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.591 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 6.3 tp-100 -167.98 66.08 0.73 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.333 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.4 Cg_endo -60.7 -52.06 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.768 2.312 . . . . 0.0 112.14 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -43.94 -8.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.455 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 2.8 t-20 -121.93 -10.46 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.821 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 43.8 m-85 70.07 80.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.821 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 21.6 p-90 158.78 127.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.734 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . 0.559 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 62.4 m-20 -135.98 162.31 33.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.17 29.05 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.7 136.64 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.706 0.288 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' TRP . . . . . 0.725 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.3 t-105 -107.6 138.91 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.894 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.55 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 95.4 mtt180 -125.32 152.24 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.212 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.27 111.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.031 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.656 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.1 tt0 -116.4 124.68 50.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.636 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 69.0 m95 -120.62 116.95 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -98.59 119.83 37.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.368 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.721 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.1 m-85 -117.52 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 80.9 p -50.13 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . 0.753 ' O ' ' HB ' ' A' ' 182' ' ' THR . 9.7 tp -164.31 151.32 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.643 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 1.3 ' OG1' ' HG3' ' A' ' 184' ' ' PRO . 9.6 t 149.77 61.44 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 1.011 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 77.8 Cg_exo -34.38 12.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.413 2.742 . . . . 0.0 112.69 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 1.3 ' HG3' ' OG1' ' A' ' 182' ' ' THR . 42.9 Cg_endo -79.79 -4.35 13.38 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.858 2.372 . . . . 0.0 112.172 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' THR . . . . . 1.021 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.1 OUTLIER 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.257 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 1.111 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.86 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.936 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 1.048 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 78.1 mt-30 -106.7 -114.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.277 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.912 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 4.6 t 145.65 173.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.748 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.348 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.656 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.64 2.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 3.8 p -165.7 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . 57.3 mt -85.57 157.8 20.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . 0.483 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 27.0 mttt -150.33 147.82 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . 0.4 ' CD1' ' CE3' ' A' ' 173' ' ' TRP . 0.9 OUTLIER -149.43 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.262 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.501 ' NE2' ' OE1' ' A' ' 205' ' ' GLN . 57.8 tt0 -142.38 130.28 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.7 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.64 136.65 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.147 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . 0.767 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 76.7 t60 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.976 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' TYR . . . . . 0.521 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.5 t80 -145.59 87.07 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.9 t80 -100.03 87.78 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' GLU . . . . . 0.793 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 32.8 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . 0.793 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.6 t0 114.84 2.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.42 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.67 -129.15 1.08 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.1 t -127.03 129.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' GLN . . . . . 0.7 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 3.8 tt0 -136.79 154.1 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 10.6 tp -122.23 87.2 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.708 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . 0.582 ' CG2' ' NE2' ' A' ' 205' ' ' GLN . 16.4 t -90.03 122.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.412 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' SER . . . . . 0.456 ' OG ' ' OH ' ' A' ' 239' ' ' TYR . 6.1 p -149.61 147.23 27.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.409 . . . . 0.0 110.757 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . 0.504 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 30.1 p80 -157.85 145.05 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.209 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -135.42 129.08 32.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.58 129.85 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 19.6 tt -127.15 154.93 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -150.19 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' ASP . . . . . 0.647 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.3 t0 -118.87 166.04 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.672 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' SER . . . . . 1.048 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 66.1 m -117.76 103.39 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.447 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' VAL . . . . . 1.111 ' O ' ' O ' ' A' ' 186' ' ' ALA . 70.6 t -91.96 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . 1.021 ' HA ' ' O ' ' A' ' 185' ' ' THR . 83.9 mt-30 -102.63 128.0 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 1.011 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 54.8 t -86.02 137.55 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.906 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.7 t -131.07 -99.06 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 224' ' ' THR . 3.5 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 221' ' ' ASP . 19.5 p-10 -86.8 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.494 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 14.5 p -70.05 -24.69 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.515 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -73.98 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.906 ' CG2' ' H ' ' A' ' 219' ' ' SER . 53.5 p -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' ALA . . . . . 0.451 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.55 -57.13 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.439 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.04 -30.58 64.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.6 -38.7 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.449 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -67.79 -53.96 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.0 mm -52.16 -27.34 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.384 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -74.8 -36.78 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.373 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 4.6 mm -67.49 -41.22 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.459 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' ILE . . . . . 0.423 HG12 ' CD2' ' A' ' 177' ' ' TRP . 49.8 mt -70.01 -44.53 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.06 -46.99 82.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -69.63 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.435 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.96 61.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' GLU . . . . . 0.472 ' OE1' ' OH ' ' A' ' 131' ' ' TYR . 68.6 tt0 -60.2 -44.13 95.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.487 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' ASN . . . . . 0.469 ' HA ' HH12 ' B' ' 544' ' ' ARG . 92.5 m-20 -60.0 -40.28 88.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.72 -34.37 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . 0.456 ' OH ' ' OG ' ' A' ' 208' ' ' SER . 49.6 t80 -68.45 -44.38 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -68.19 -39.02 82.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 76.2 m -61.43 -45.82 92.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . 0.666 HG12 ' SD ' ' B' ' 487' ' ' MET . 62.7 mt -69.25 -47.45 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 81.3 p -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.89 -42.94 84.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.563 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 250' ' ' MET . 98.6 m-20 -62.12 -34.59 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 247' ' ' TYR . . . . . 0.435 ' O ' ' HG2' ' A' ' 250' ' ' MET . 0.7 OUTLIER -64.93 -31.92 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -73.18 -50.91 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 249' ' ' THR . . . . . 0.539 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.8 p -64.78 -34.84 79.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.579 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 250' ' ' MET . . . . . 0.446 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.5 ptp -72.86 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.1 p -113.0 -10.08 13.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 252' ' ' ASP . . . . . 0.626 ' O ' ' OG1' ' A' ' 253' ' ' THR . 38.5 t70 -132.13 47.74 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 253' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.4 m 175.72 -78.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 254' ' ' THR . . . . . 0.467 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 10.9 m -53.54 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -47.69 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.33 -18.16 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 259' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ2' ' B' ' 448' ' ' TRP . 0.1 OUTLIER -98.58 174.49 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 260' ' ' ARG . . . . . 0.999 ' O ' ' CZ ' ' B' ' 411' ' ' TYR . 32.9 mmt180 -109.19 153.24 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -83.75 -11.2 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.63 133.28 3.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 263' ' ' PRO . . . . . 0.699 ' O ' ' N ' ' A' ' 266' ' ' ARG . 76.8 Cg_exo -44.0 135.44 7.96 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.895 2.397 . . . . 0.0 112.064 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 264' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 263' ' ' PRO . 6.2 m -37.8 -38.97 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 3.4 m -64.13 -5.5 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 266' ' ' ARG . . . . . 0.699 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.8 ttm180 54.2 55.58 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.5 t 173.25 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.4 mttt -16.79 131.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 269' ' ' ILE . . . . . 0.42 ' H ' HD13 ' A' ' 269' ' ' ILE . 3.7 mp -50.25 158.44 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . 0.803 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.9 m-20 -117.02 58.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 271' ' ' TRP . . . . . 0.597 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.44 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.2 t-20 -44.65 -25.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . 1.227 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 4.9 tttt -99.96 -7.73 24.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 274' ' ' ILE . . . . . 0.597 ' N ' ' O ' ' A' ' 271' ' ' TRP . 0.7 OUTLIER -103.24 -1.13 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 276' ' ' SER . 8.6 mt -111.16 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 276' ' ' SER . . . . . 1.297 ' O ' ' N ' ' A' ' 278' ' ' LYS . 8.0 m 141.9 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 1.227 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 78.4 t80 -31.02 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 278' ' ' LYS . . . . . 1.297 ' N ' ' O ' ' A' ' 276' ' ' SER . 64.8 tttp -107.72 80.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' A' ' 280' ' ' GLY . 96.1 mt 54.18 3.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 1.069 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.51 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 302' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 7.4 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -42.8 -51.2 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -55.33 -34.16 63.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.6 mt-30 -60.74 -49.07 78.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.4 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.29 -40.59 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.41 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.96 -40.79 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.356 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 308' ' ' CYS . . . . . 0.418 ' SG ' ' CD1' ' A' ' 38' ' ' LEU . 79.6 m -68.13 -37.17 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.25 -42.09 96.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.36 -38.36 84.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.36 -33.65 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.78 -43.74 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.6 mmm -64.36 -25.64 68.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.381 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.28 -12.37 58.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 315' ' ' ARG . . . . . 0.552 HH11 ' HG2' ' B' ' 315' ' ' ARG . 27.4 mmt-85 -100.09 -46.89 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.519 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.56 147.72 95.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.6 128.41 20.91 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 122.838 2.359 . . . . 0.0 112.026 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 318' ' ' PRO . . . . . 0.403 ' HA ' HG12 ' B' ' 321' ' ' ILE . 38.4 Cg_endo -71.48 -4.07 14.27 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.88 2.387 . . . . 0.0 112.056 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -80.53 -17.79 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -123.96 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.497 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 321' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' B' ' 318' ' ' PRO . 4.8 mm -63.41 -40.92 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.541 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.72 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -54.61 -54.4 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.504 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -54.72 -55.78 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 42.9 tp -47.12 -48.95 22.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.6 t -57.02 -49.78 74.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.417 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 63.7 tp -55.56 -40.98 72.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' ILE . . . . . 0.418 HG23 HD13 ' B' ' 329' ' ' ILE . 96.7 mt -65.53 -41.15 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.396 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.77 -37.95 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.458 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 11.2 mt -71.26 -29.06 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.411 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.6 84.62 9.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.1 -5.6 15.15 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.774 2.316 . . . . 0.0 112.059 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.29 -6.47 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 95.4 mt -119.01 20.86 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.1 -55.87 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.39 -50.44 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.72 -36.18 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . 0.479 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 71.6 mt -79.06 -28.66 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' LEU . . . . . 0.639 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 41.6 mt -81.45 12.39 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.5 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.1 t -119.39 -15.48 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.85 120.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.85 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.449 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 0.4 OUTLIER -129.27 165.94 28.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 84.9 Cg_exo -44.48 125.24 5.89 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.796 2.331 . . . . 0.0 112.168 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.63 122.46 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -88.62 148.77 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 21.1 tt -102.94 136.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.72 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' ALA . . . . . 0.729 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.66 33.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.463 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -114.37 143.36 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.571 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.963 ' O ' ' N ' ' B' ' 356' ' ' GLY . 64.2 t0 -111.94 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 64.1 mttp -37.25 -62.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 93.7 t -39.51 -52.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 5.9 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.65 70.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 30.7 mmtp -115.06 154.92 27.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' ASP . . . . . 0.729 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.9 m-20 -94.76 143.05 26.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . 0.681 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.73 33.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.19 156.68 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 66.1 mt -108.57 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 362' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 21.5 p -168.2 168.66 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 363' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.2 p-10 -75.54 -10.28 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 364' ' ' TYR . . . . . 0.504 ' O ' ' CE2' ' B' ' 420' ' ' TYR . 87.5 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 365' ' ' ASN . . . . . 0.455 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 51.2 p30 -123.25 24.76 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 366' ' ' ARG . . . . . 0.515 ' NH1' ' OH ' ' B' ' 371' ' ' TYR . 56.4 ttt180 -119.98 129.87 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -122.18 99.5 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.03 -98.7 1.74 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -126.32 8.77 7.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.577 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 370' ' ' SER . . . . . 0.937 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 78.3 p -122.4 161.32 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 371' ' ' TYR . . . . . 1.105 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.8 m-85 -118.26 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . 0.534 ' NH2' ' OH ' ' B' ' 420' ' ' TYR . 4.9 mtp180 -98.76 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 373' ' ' SER . . . . . 0.57 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 87.4 p -79.62 133.77 58.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.789 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 374' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.6 Cg_exo -75.81 -14.82 19.3 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.857 2.371 . . . . 0.0 112.227 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -85.86 -66.28 0.92 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 68.0 p -83.14 -18.6 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 377' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' B' ' 373' ' ' SER . 49.6 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -141.56 137.91 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 379' ' ' TYR . . . . . 1.105 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.8 140.45 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.614 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.863 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.97 -60.41 6.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.369 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 0.937 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.1 Cg_exo -65.43 120.04 7.17 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.957 2.438 . . . . 0.0 112.327 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.61 79.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.984 2.456 . . . . 0.0 112.246 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.611 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.2 tp -84.51 177.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.533 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -111.64 -72.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.02 66.02 0.72 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 386' ' ' GLY . . . . . 0.852 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.23 151.74 47.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -63.98 127.29 30.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 388' ' ' MET . . . . . 0.474 ' O ' ' SD ' ' B' ' 388' ' ' MET . 0.0 OUTLIER -132.31 148.6 70.36 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.98 150.76 49.32 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.119 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 142.92 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.63 -43.73 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -67.95 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.89 -42.42 70.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -55.32 -36.8 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.54 -46.56 85.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.44 -31.94 73.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.262 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -67.85 -38.05 82.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.06 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.436 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.74 -36.96 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.91 94.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 401' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.0 t-20 -63.91 -39.08 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.12 -40.41 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.375 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . 0.433 ' CB ' ' CD1' ' A' ' 274' ' ' ILE . . . -63.65 -47.96 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.394 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.31 -29.29 67.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 54.1 m-20 -54.57 -38.83 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.18 -32.78 56.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -69.79 -18.64 63.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 408' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 4.3 ttm180 -83.84 -35.46 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 409' ' ' ASP . . . . . 0.546 ' CG ' ' HZ2' ' C' ' 604' ' ' LYS . 17.0 t0 -85.2 -9.0 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 410' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 43.5 mt -95.8 -17.89 20.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 411' ' ' TYR . . . . . 0.999 ' CZ ' ' O ' ' A' ' 260' ' ' ARG . 1.7 t80 -118.89 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 77.1 m-85 -100.58 -25.98 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 413' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 97.6 mt-10 63.53 24.34 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.77 -154.49 25.46 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.38 -163.46 52.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 16.3 t -128.7 153.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.331 . . . . 0.0 110.447 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 47.4 t -143.57 148.52 36.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 26.4 t -148.21 143.99 27.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 97.2 t -132.9 130.21 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.534 ' OH ' ' NH2' ' B' ' 372' ' ' ARG . 77.5 t80 -128.5 132.43 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 158.4 26.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.686 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 422' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' B' ' 422' ' ' TRP . 2.0 p-90 -154.5 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -43.01 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 424' ' ' LEU . . . . . 0.471 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 55.1 mt -127.86 -147.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 52.6 t0 -87.34 -49.87 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -129.8 30.73 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.7 -135.64 2.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -170.71 154.13 4.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.533 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . 0.448 ' CB ' ' CE2' ' B' ' 422' ' ' TRP . . . -124.04 172.79 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.68 35.02 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 431' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.03 126.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.56 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 113.72 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' B' ' 450' ' ' SER . 30.8 mt -102.88 143.14 32.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 434' ' ' ILE . . . . . 0.482 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.6 mt -148.71 119.92 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -122.56 127.53 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 436' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.19 119.63 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.91 138.15 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.07 179.47 45.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.73 128.11 19.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.75 76.05 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.5 p -110.34 -4.25 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -89.22 153.91 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 443' ' ' LYS . . . . . 0.545 ' NZ ' ' CD2' ' C' ' 677' ' ' TYR . 6.1 pttm -56.94 -43.77 81.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 444' ' ' ILE . . . . . 0.448 ' H ' ' HG3' ' B' ' 443' ' ' LYS . 60.1 mt -95.16 135.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.689 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -105.75 154.73 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.356 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.77 152.4 24.51 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 8.1 t -149.44 130.65 14.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 448' ' ' TRP . . . . . 0.728 ' CZ2' ' CZ ' ' A' ' 259' ' ' ARG . 6.7 t-105 -114.81 116.22 28.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.817 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 449' ' ' ASP . . . . . 0.486 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.0 m-20 -109.43 127.18 54.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.288 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 450' ' ' SER . . . . . 0.631 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.3 m -115.92 122.78 46.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 88.9 mt -127.91 100.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 452' ' ' HIS . . . . . 0.512 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 3.3 m170 -108.66 132.41 53.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.813 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.74 95.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.217 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.1 p -96.69 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -131.84 102.22 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.318 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 99.5 t -79.1 139.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -123.51 68.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -40.22 146.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 459' ' ' LYS . . . . . 0.536 ' HZ3' ' HG ' ' B' ' 460' ' ' SER . 28.7 tptp -109.37 141.97 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 460' ' ' SER . . . . . 0.536 ' HG ' ' HZ3' ' B' ' 459' ' ' LYS . 78.3 p -48.93 -54.15 16.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.655 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.75 146.57 50.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 462' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.76 48.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 59.17 -0.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.685 0.278 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.546 ' H ' ' C ' ' B' ' 462' ' ' GLY . 9.6 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.76 151.9 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.729 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -92.98 126.53 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.381 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -103.15 139.44 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -135.81 86.18 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 157.55 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 470' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' B' ' 470' ' ' THR . 15.1 t -157.85 62.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.077 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 471' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 11.9 p -64.65 174.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 472' ' ' THR . . . . . . . . . . . . . 6.2 m -168.77 87.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.113 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 473' ' ' VAL . . . . . 0.469 HG11 ' CH2' ' B' ' 448' ' ' TRP . 98.5 t -69.72 143.85 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 474' ' ' MET . . . . . 0.486 ' HB3' ' HB2' ' B' ' 449' ' ' ASP . 0.6 OUTLIER -124.82 96.05 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.67 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 33.7 mt -137.36 124.71 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.954 0.406 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 478' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' B' ' 479' ' ' THR . 41.4 tt0 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 479' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 478' ' ' GLN . 1.8 t -163.46 127.52 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 480' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 13.3 m120 -108.23 73.81 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 481' ' ' LYS . . . . . 0.875 ' O ' ' N ' ' B' ' 485' ' ' GLY . 3.4 ttmp? -107.66 146.68 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 60.9 p -57.31 -45.98 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.6 -25.26 68.67 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 484' ' ' SER . . . . . 0.447 ' O ' ' C ' ' B' ' 485' ' ' GLY . 51.8 p -125.92 14.85 7.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 110.611 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 485' ' ' GLY . . . . . 0.875 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.61 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 486' ' ' THR . . . . . 0.504 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 15.1 p -126.0 113.91 17.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 487' ' ' MET . . . . . 0.666 ' SD ' HG12 ' A' ' 243' ' ' ILE . 2.5 ttm -125.07 118.04 25.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 488' ' ' ASN . . . . . 0.544 HD21 ' C ' ' B' ' 487' ' ' MET . 4.0 m120 -119.0 123.97 45.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 489' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 13.4 tp -131.65 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.79 21.79 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 491' ' ' GLY . . . . . 0.633 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.82 -142.65 11.08 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 492' ' ' SER . . . . . 0.633 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 74.3 p 163.2 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.55 149.5 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 494' ' ' THR . . . . . 0.439 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 2.5 p -127.18 142.86 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.478 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 495' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.3 mmt180 -149.95 128.7 12.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -92.83 160.59 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.6 tpp -160.04 130.44 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.662 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 498' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.8 pm0 -133.5 141.57 47.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.551 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -172.2 145.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.0 p-10 -91.21 125.2 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -120.75 160.17 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 72.4 p -94.24 131.85 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.61 122.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 18.6 p -143.02 -177.23 5.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.9 -35.84 77.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.66 -19.85 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 27.6 t -135.5 73.45 62.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.5 -172.58 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.799 2.333 . . . . 0.0 112.145 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -58.82 -62.69 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 510' ' ' ILE . . . . . 0.42 HD12 ' H ' ' B' ' 510' ' ' ILE . 3.7 mp -42.7 -49.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.621 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.32 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.97 -48.14 80.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.08 -33.61 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.58 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 514' ' ' GLY . . . . . 0.518 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.72 -46.63 73.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -57.35 -44.31 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.27 . . . . 0.0 110.745 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.19 -52.52 62.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.5 -47.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.93 -51.71 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.746 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 519' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.9 t0 -63.52 -37.54 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.34 -49.44 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 521' ' ' GLU . . . . . 0.56 ' CG ' HH22 ' A' ' 259' ' ' ARG . 37.3 mt-10 -62.54 -45.33 93.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 522' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 56.3 t-20 -56.93 -41.41 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -70.62 -38.5 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 524' ' ' ILE . . . . . 0.458 HG21 HD12 ' B' ' 524' ' ' ILE . 26.7 mm -74.36 -24.41 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 525' ' ' ARG . . . . . 0.636 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.62 66.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.675 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 526' ' ' SER . . . . . 0.542 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 28.2 t -85.04 -38.71 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.1 m -66.08 -35.75 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 65.7 mt -65.0 -42.37 94.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.51 -31.29 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . 0.981 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.37 -54.43 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.37 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 532' ' ' TYR . . . . . 0.686 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 17.2 m-85 -50.26 -86.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 533' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.74 40.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . 0.981 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 29.0 mmtp -56.96 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.549 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.632 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.5 p -34.81 -57.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -50.39 -53.22 30.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -53.29 -44.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.78 -36.03 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.46 -41.94 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.656 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -69.82 -17.13 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.35 48.0 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . 0.438 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.12 -51.42 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.441 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 544' ' ' ARG . . . . . 0.749 ' HG2' ' O ' ' A' ' 135' ' ' HIS . 2.1 tmt_? -141.81 170.12 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.661 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 545' ' ' SER . . . . . 0.678 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.7 t -142.18 137.87 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 546' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' B' ' 547' ' ' ASP . 21.1 tt -69.05 -43.56 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 547' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' B' ' 548' ' ' ALA . 64.8 t0 -82.91 138.56 33.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 548' ' ' ALA . . . . . 0.529 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.43 122.06 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 551' ' ' ASP . 73.7 mt -79.5 112.7 30.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.3 Cg_exo -46.49 80.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.926 2.418 . . . . 0.0 112.085 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 54.6 p-10 -25.37 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 552' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 43.6 p-10 -129.85 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -85.25 -24.81 27.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.67 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 558' ' ' LEU . 87.5 tttt -52.59 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 555' ' ' TYR . . . . . 0.548 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.4 m-85 -45.25 -56.66 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.643 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -57.6 -46.9 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.732 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.83 -29.69 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.9 tp -77.76 -30.3 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -73.62 -36.36 65.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.682 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . 0.487 HH11 ' HG2' ' B' ' 560' ' ' ARG . 50.8 ttt-85 -58.2 -40.52 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 561' ' ' GLU . . . . . 0.891 ' O ' HG22 ' B' ' 565' ' ' VAL . 73.0 mm-40 -67.84 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.734 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 82.5 mt -49.11 -40.65 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.683 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 563' ' ' SER . . . . . 0.797 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.9 m -61.19 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.694 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.653 ' NE2' HE22 ' B' ' 568' ' ' GLN . 54.2 tt0 -36.72 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.891 HG22 ' O ' ' B' ' 561' ' ' GLU . 64.4 t -72.14 -42.63 67.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' B' ' 566' ' ' LEU . 4.0 mm? -81.53 -35.55 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.5 p -70.25 -19.67 63.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 568' ' ' GLN . . . . . 0.653 HE22 ' NE2' ' B' ' 564' ' ' GLN . 79.9 mt-30 -117.47 6.62 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 22.1 ttm180 -160.99 -141.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.498 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.805 ' O ' ' CB ' ' B' ' 571' ' ' ILE . 39.1 tt0 139.78 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 571' ' ' ILE . . . . . 0.805 ' CB ' ' O ' ' B' ' 570' ' ' GLN . 13.9 tt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.517 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -49.79 -37.81 31.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 604' ' ' LYS . . . . . 0.546 ' HZ2' ' CG ' ' B' ' 409' ' ' ASP . 90.1 mttt -69.76 -52.18 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -55.05 -28.98 56.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -75.65 -53.62 8.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 607' ' ' MET . . . . . 0.483 ' CE ' ' OE2' ' C' ' 633' ' ' GLU . 46.9 ttp -72.81 -36.83 67.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 608' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' C' ' 604' ' ' LYS . 76.2 t-105 -56.72 -16.01 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 609' ' ' ALA . . . . . 0.474 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.69 13.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 13.9 mt -66.22 1.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 611' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' C' ' 609' ' ' ALA . 62.8 tttp -102.04 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -70.39 -4.24 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 613' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.88 58.45 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 614' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.5 m-20 -63.89 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 615' ' ' LEU . . . . . 0.688 ' O ' HD21 ' C' ' 615' ' ' LEU . 2.8 tm? -45.05 -17.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' C' ' 614' ' ' ASP . 95.9 m-20 -77.69 -27.59 50.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 617' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.47 -49.86 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.85 -28.39 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 619' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' C' ' 615' ' ' LEU . 33.4 ttmt -66.21 -21.88 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.498 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 620' ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 63.0 t0 -75.32 -45.49 39.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -60.92 -59.19 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.71 -27.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 623' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.73 -16.76 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.79 -76.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.8 82.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.7 pt-20 34.26 95.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.84 0.353 . . . . 0.0 110.598 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 627' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 54.6 p30 -140.97 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 628' ' ' VAL . . . . . 0.66 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.5 t -121.97 76.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -172.99 5.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 630' ' ' ARG . . . . . 0.417 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.6 mtt-85 -79.0 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 631' ' ' THR . . . . . 0.5 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.09 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.595 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 632' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' C' ' 631' ' ' THR . 40.7 tp -31.38 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.483 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 68.2 mm-40 -71.73 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.35 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 635' ' ' GLY . . . . . . . . . . . . . . . -163.45 22.72 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -127.91 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 637' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' C' ' 639' ' ' LEU . 12.7 mptt -108.42 157.0 37.63 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.67 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.855 2.37 . . . . 0.0 112.135 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 639' ' ' LEU . . . . . 0.458 ' H ' ' C ' ' C' ' 637' ' ' LYS . 0.6 OUTLIER -117.76 -16.27 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.544 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -75.28 -43.83 49.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -71.68 -36.03 70.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 642' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -44.93 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.49 62.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 644' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.65 -35.63 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 5.3 p -160.91 65.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.601 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 646' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.03 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 647' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.1 mm100 51.62 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.325 . . . . 0.0 110.577 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 648' ' ' LEU . . . . . 0.856 ' N ' HD11 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.59 7.03 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 649' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 647' ' ' GLN . 2.9 mp0 -115.79 -12.62 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 650' ' ' ILE . . . . . 0.456 ' O ' HD21 ' C' ' 654' ' ' LEU . 1.0 OUTLIER -87.47 -36.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 1.081 HD23 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.31 -52.94 61.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.543 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 652' ' ' GLU . . . . . 1.081 ' H ' HD23 ' C' ' 651' ' ' LEU . 91.0 mt-10 -56.18 -22.62 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.6 OUTLIER -75.83 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 654' ' ' LEU . . . . . 0.66 ' O ' HG11 ' C' ' 628' ' ' VAL . 0.9 OUTLIER -41.45 6.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 10.6 tp -102.97 -47.87 4.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.27 -25.33 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -72.84 -90.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.508 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 658' ' ' GLY . . . . . . . . . . . . . . . -65.31 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 659' ' ' ALA . . . . . 0.707 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.07 33.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.599 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 660' ' ' ASP . . . . . 0.464 ' C ' ' H ' ' C' ' 662' ' ' ASN . 90.1 m-20 -57.37 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 661' ' ' ILE . . . . . 0.707 ' H ' ' C ' ' C' ' 659' ' ' ALA . 0.0 OUTLIER -66.05 1.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 662' ' ' ASN . . . . . 1.039 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.5 p30 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 663' ' ' ALA . . . . . 0.752 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.15 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 664' ' ' PRO . . . . . 1.039 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 86.6 Cg_exo -46.98 120.83 4.48 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.928 2.419 . . . . 0.0 112.094 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -125.91 -50.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -78.79 -16.14 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 667' ' ' HIS . . . . . 0.632 ' HD1' ' N ' ' C' ' 667' ' ' HIS . 0.6 OUTLIER -80.48 -6.29 57.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 40.61 37.27 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 18.1 tt -176.89 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.57 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 670' ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.19 168.7 10.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 671' ' ' PRO . . . . . 0.521 ' O ' ' OG ' ' C' ' 674' ' ' SER . 49.9 Cg_endo -72.51 -30.49 12.21 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.789 2.326 . . . . 0.0 112.109 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 23.7 tp -45.33 -49.11 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 673' ' ' LEU . . . . . 0.623 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.85 -27.79 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 674' ' ' SER . . . . . 0.521 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 19.5 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 675' ' ' ALA . . . . . . . . . . . . . . . -74.56 -30.04 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 676' ' ' VAL . . . . . 0.623 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 13.2 t -47.16 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 677' ' ' TYR . . . . . 0.545 ' CD2' ' NZ ' ' B' ' 443' ' ' LYS . 1.2 m-85 -77.82 39.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 678' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' C' ' 676' ' ' VAL . 33.3 tp10 -124.54 -28.68 3.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.0 m-70 -71.94 -53.58 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 0.0 110.55 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 681' ' ' VAL . . . . . 0.646 ' O ' HG22 ' C' ' 684' ' ' VAL . 10.7 m 43.28 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.1 m -67.45 -24.28 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 683' ' ' CYS . . . . . 0.47 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 0.9 OUTLIER -91.0 -48.61 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 684' ' ' VAL . . . . . 0.646 HG22 ' O ' ' C' ' 681' ' ' VAL . 3.8 m -41.9 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 685' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' C' ' 687' ' ' LEU . 25.6 mtpp -62.55 -73.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.91 1.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 687' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.1 tp -81.85 -70.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 688' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' C' ' 691' ' ' GLY . 16.8 tp -45.64 -21.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.491 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 689' ' ' SER . . . . . 0.419 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.3 m -55.7 -21.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -99.58 -6.32 27.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 691' ' ' GLY . . . . . 1.081 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 693' ' ' ASP . . . . . 1.081 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.4 t0 33.19 -128.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -152.5 -23.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 5.4 m -156.53 73.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.5 t -93.51 -29.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -140.16 23.59 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.69 142.78 20.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 699' ' ' PRO . . . . . 0.646 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 84.6 Cg_exo -44.83 -27.74 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.845 2.363 . . . . 0.0 112.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 700' ' ' ASP . . . . . 0.646 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.8 t70 157.73 -112.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 701' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 702' ' ' LEU . . . . . 0.648 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.3 tp -53.83 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 703' ' ' THR . . . . . 0.648 ' C ' ' O ' ' C' ' 702' ' ' LEU . 81.9 p 16.2 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 704' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' C' ' 707' ' ' ALA . . . -106.63 -18.59 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 705' ' ' LEU . . . . . 0.557 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.6 tp -62.89 -75.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.547 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -80.67 15.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.498 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 708' ' ' THR . . . . . 0.437 ' O ' ' OD1' ' C' ' 709' ' ' ASP . 56.9 p -139.77 -142.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 709' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 708' ' ' THR . 77.9 m-20 -148.87 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -72.57 151.84 42.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -71.54 -20.5 62.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.36 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 12.2 mt -70.02 -37.68 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -51.99 -29.95 22.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 716' ' ' LEU . . . . . 0.837 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 717' ' ' LEU . . . . . 0.837 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 11.9 mt 124.12 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.575 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 718' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 41.5 tp60 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.616 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' A' ' 7' ' ' ARG . 57.2 ttt-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.17 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.0 p -45.88 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.93 -33.59 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.52 -39.31 87.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -67.61 -40.89 84.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.625 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -63.7 -35.91 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.0 t -65.24 -43.77 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -61.62 -39.73 92.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.34 -47.39 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.9 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.67 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.9 -41.37 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.14 -44.84 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.66 -46.52 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.539 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 69.6 p -75.97 8.47 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.72 15.36 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.49 146.92 81.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.521 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.6 Cg_endo -68.2 167.56 21.67 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.751 2.301 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -70.97 116.22 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.095 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.44 35.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.521 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 42.8 mt-10 -149.28 37.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.781 0.324 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.91 -48.79 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -57.12 -57.35 12.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 42.0 mp0 -44.49 -54.43 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.78 -42.51 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.647 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -59.18 -50.88 72.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.03 -37.96 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.05 -42.12 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.04 -41.86 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.605 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.36 -54.82 41.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.36 -34.72 72.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.19 -49.81 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 67.1 t30 46.66 49.66 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.509 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 46.5 m-20 -168.64 79.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.649 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -51.85 -37.91 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.18 -44.17 71.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -77.35 -30.82 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.73 -38.75 91.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.554 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.13 -35.59 80.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -40.97 -59.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.2 -56.82 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.5 87.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.34 -37.01 64.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.552 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.38 12.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.495 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -46.56 -56.57 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.63 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.564 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.3 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.04 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -46.95 -30.99 2.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.547 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.7 ttp -68.8 -66.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.87 10.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.619 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.5 mm100 -124.54 24.73 7.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.3 m-30 23.9 44.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.517 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.4 m -58.84 111.35 3.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.601 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.67 115.18 4.13 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.949 2.433 . . . . 0.0 112.199 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 12.3 p -109.42 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 87.1 tttt -125.11 103.91 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.64 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.646 ' O ' ' C ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.52 148.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.627 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.646 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.2 tm-20 -13.27 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.43 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.45 14.79 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.621 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.603 ' C ' ' O ' ' A' ' 70' ' ' TYR . 66.2 t0 20.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 1.055 ' O ' ' N ' ' A' ' 74' ' ' VAL . 9.5 t70 -98.74 19.43 14.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.4 mm100 -0.3 50.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.055 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.537 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 57.6 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.526 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.418 HD12 HG21 ' A' ' 76' ' ' ILE . 96.5 mt -104.07 105.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.1 -176.92 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.79 -31.27 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -64.03 -23.58 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.511 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.19 15.65 50.61 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -85.53 100.01 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 0.0 110.597 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 86' ' ' ARG . 56.0 tp -49.65 -51.5 37.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.65 25.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.734 0.302 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.18 -15.72 9.35 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.527 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.3 OUTLIER -108.38 168.75 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.586 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.532 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.55 -170.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' GLY . 63.9 mt -118.3 157.4 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.684 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.5 t0 -139.38 88.99 12.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.434 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -60.95 -36.68 81.87 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.827 2.351 . . . . 0.0 112.033 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.45 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.674 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.4 t-20 -76.46 -20.4 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.684 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 52.9 mtmt 62.81 62.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.523 ' CD1' ' OD1' ' A' ' 92' ' ' ASN . 24.1 pt -146.44 154.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.828 ' O ' ' N ' ' A' ' 109' ' ' GLN . 3.8 t -92.71 133.05 36.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.724 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.0 p90 -140.15 136.65 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 17.7 ttmm -88.71 113.38 24.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.556 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.854 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 48.9 t80 -82.63 133.08 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.605 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.666 ' H ' ' HB2' ' A' ' 105' ' ' ALA . 9.0 t70 -104.59 90.17 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.495 ' CB ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.43 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -47.43 -81.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.86 156.34 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -88.88 2.27 54.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 104' ' ' GLU . 48.9 mp0 -117.24 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.854 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.3 m -95.56 -164.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.79 54.49 0.28 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.539 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.812 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.55 -177.74 3.26 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.791 2.328 . . . . 0.0 112.123 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.828 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.7 mt-30 -160.15 124.51 2.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.09 131.0 17.09 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.818 2.346 . . . . 0.0 112.045 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -122.89 102.44 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.45 88.45 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 82.1 p -46.91 164.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.07 -30.05 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.93 35.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.78 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.648 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.11 3.38 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' GLN . 10.6 mmtp -54.03 -41.9 68.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.477 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' LYS . 84.2 mt-30 -39.17 -55.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -62.55 -47.56 83.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.1 tmm_? -53.94 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.567 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.9 m-20 -25.46 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.01 -67.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.14 -48.49 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.433 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.1 t70 -40.48 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 32.0 m -47.97 -46.24 32.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.85 -12.21 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.631 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.42 -32.77 74.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.625 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.57 -39.3 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.547 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.0 t80 -54.74 -38.79 67.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' A' ' 134' ' ' ASP . 88.3 t -74.75 -40.54 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.49 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.3 mttt -76.14 25.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.58 7.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.685 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.7 m80 -151.07 -21.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.532 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.8 m-85 -114.74 106.44 52.02 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.443 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.57 -57.15 2.36 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.75 2.3 . . . . 0.0 112.081 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -127.55 50.1 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -135.06 158.14 45.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.51 162.27 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.6 m -161.35 97.36 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.3 t -75.74 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.6 m-85 -120.22 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.553 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.76 84.5 0.37 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -123.76 167.43 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.2 t -107.63 115.43 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.552 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 14.0 mt -91.24 104.12 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.595 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.63 54.19 9.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.89 -62.78 4.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -53.79 129.85 34.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.644 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.65 ' H ' HG23 ' A' ' 181' ' ' ILE . 35.0 mt-30 -85.82 150.49 24.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.718 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.1 t -155.27 146.11 22.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.719 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 179' ' ' PHE . 4.8 mp -108.46 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.13 117.1 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.89 115.99 27.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.295 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 85.7 m -106.1 135.41 47.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.8 mt -122.76 137.73 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.192 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.519 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.37 151.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 0.0 111.051 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.699 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.88 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.212 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.62 170.62 15.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.964 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.0 mm-40 -148.66 77.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.43 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.983 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.441 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.96 66.08 0.73 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.681 ' C ' ' H ' ' A' ' 167' ' ' ASN . 19.2 Cg_endo -60.72 -52.03 4.23 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.733 2.289 . . . . 0.0 112.144 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.91 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . 0.681 ' H ' ' C ' ' A' ' 165' ' ' PRO . 11.9 m120 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.846 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 57.3 m-85 70.02 80.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.846 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.4 p-90 158.76 127.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.95 162.3 33.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.38 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.82 163.15 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.619 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 26.9 ttp180 -165.73 136.61 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' TRP . . . . . 0.699 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.5 t-105 -107.53 138.91 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.503 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 56.0 mtm180 -125.37 152.27 45.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.199 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.32 111.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.665 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 80.7 tt0 -116.42 124.7 50.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.114 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.692 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 67.9 m95 -120.61 116.93 26.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.944 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.57 119.85 37.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.718 ' O ' ' HA ' ' A' ' 153' ' ' THR . 33.5 m-85 -117.53 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.755 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.679 ' O ' ' O ' ' A' ' 179' ' ' PHE . 17.6 p -50.11 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . 0.699 ' O ' ' OG1' ' A' ' 182' ' ' THR . 0.1 OUTLIER -164.33 151.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.91 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.4 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.47 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 1.067 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 89.0 Cg_exo -34.26 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.415 2.743 . . . . 0.0 112.738 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.91 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.1 Cg_endo -79.8 -4.35 13.36 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.14 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' THR . . . . . 1.048 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 1.114 ' HB2' ' C ' ' A' ' 216' ' ' VAL . . . 65.83 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.931 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 1.03 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 24.8 mp0 -106.72 -115.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.271 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.834 ' CG2' ' O ' ' A' ' 187' ' ' GLN . 2.7 t 145.65 173.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.766 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.407 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.63 2.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.43 ' CG2' ' OD1' ' A' ' 211' ' ' ASP . 3.5 p -165.75 115.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.533 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 7.2 mp -85.49 157.83 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -150.39 147.82 28.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.747 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 68.1 mt -149.49 134.08 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.221 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -142.31 130.26 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.949 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.69 136.61 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.158 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . 0.779 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.955 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.7 t80 -145.6 87.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.307 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.761 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.5 p90 -100.04 87.74 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' GLU . . . . . 0.802 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 23.9 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . 0.802 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.2 m-20 114.86 2.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.399 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.69 -129.11 1.08 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.5 t30 -172.85 99.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.583 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.05 129.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.6 mt-30 -136.78 154.08 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 13.0 tp -122.25 87.19 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.696 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 86.5 t -90.06 122.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 47.4 t -149.61 147.21 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -157.87 145.09 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.212 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -135.45 129.07 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.903 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . 0.43 ' OD1' ' CG2' ' A' ' 191' ' ' VAL . 66.0 m-20 -103.55 129.82 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.259 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 96.4 mt -127.16 154.85 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.916 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.339 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' ASP . . . . . 0.63 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 33.9 t70 -118.84 166.09 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.705 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' SER . . . . . 1.03 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 19.8 p -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' VAL . . . . . 1.114 ' C ' ' HB2' ' A' ' 186' ' ' ALA . 2.7 p -91.93 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . 1.048 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.9 pt20 -102.6 128.02 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 1.067 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 64.6 t -86.03 137.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' SER . . . . . 0.905 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.3 t -130.98 -98.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' SER . . . . . 0.493 ' O ' ' CG2' ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.27 -163.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' ASP . . . . . 0.498 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.4 p-10 -86.85 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . 0.498 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 87.6 t -70.09 -24.73 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -73.92 -56.78 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.905 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.9 p -54.64 -36.87 65.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.54 -57.1 14.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.483 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -57.09 -30.52 64.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.374 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -67.61 -38.76 84.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -67.74 -53.94 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.389 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' ILE . . . . . . . . . . . . . 1.7 mp -52.2 -27.32 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.359 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 234' ' ' ASN . 65.7 tttm -74.84 -36.71 62.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 95.5 mt -67.5 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 177' ' ' TRP . 54.5 mt -70.05 -44.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -57.1 -47.03 82.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 230' ' ' LYS . 3.2 m-80 -69.6 -43.89 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.96 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' GLU . . . . . 0.434 ' OE1' ' OH ' ' A' ' 131' ' ' TYR . 69.5 mt-10 -60.21 -44.12 95.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' ASN . . . . . 0.459 ' O ' ' OG1' ' A' ' 241' ' ' THR . 93.8 m-20 -60.01 -40.21 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.75 -34.35 73.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -68.46 -44.44 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -68.16 -38.98 82.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 19.6 m -61.5 -45.7 93.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.57 71.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.24 -47.49 73.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.67 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -66.84 -42.97 84.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . 0.584 HD22 ' CB ' ' B' ' 484' ' ' SER . 51.9 m-20 -62.13 -34.6 76.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 247' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -64.89 -31.96 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -73.21 -50.87 20.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 249' ' ' THR . . . . . 0.542 ' O ' ' HB ' ' A' ' 253' ' ' THR . 12.4 m -64.8 -34.78 79.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 250' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 26.8 mtp -72.93 -14.44 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.8 p -112.99 -10.13 13.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 252' ' ' ASP . . . . . 0.654 ' O ' ' OG1' ' A' ' 253' ' ' THR . 98.1 m-20 -132.14 47.75 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.566 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 253' ' ' THR . . . . . 0.654 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.9 m 175.75 -79.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 254' ' ' THR . . . . . 0.531 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 10.4 m -53.5 -61.28 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -47.65 -57.56 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.16 -11.84 34.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.22 -18.24 30.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.03 -91.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 259' ' ' ARG . . . . . 0.653 HH22 ' CA ' ' B' ' 521' ' ' GLU . 0.0 OUTLIER -98.67 174.43 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.435 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 260' ' ' ARG . . . . . 0.54 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 20.0 mmm180 -109.17 153.2 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -83.7 -11.32 57.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.59 133.29 3.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 263' ' ' PRO . . . . . 0.705 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 74.5 Cg_exo -43.99 135.39 7.94 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.895 2.396 . . . . 0.0 112.057 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 264' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 263' ' ' PRO . 61.5 t -37.71 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 67.5 p -64.2 -5.4 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 266' ' ' ARG . . . . . 0.698 ' N ' ' O ' ' A' ' 263' ' ' PRO . 33.8 ttt180 54.15 55.53 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.9 m 173.3 114.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 53.3 mtpt -16.85 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 269' ' ' ILE . . . . . 0.463 ' H ' HD13 ' A' ' 269' ' ' ILE . 3.8 mp -50.29 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.514 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . 0.799 ' O ' ' N ' ' A' ' 273' ' ' LYS . 67.0 t0 -117.12 58.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 271' ' ' TRP . . . . . 0.602 ' C ' ' O ' ' A' ' 270' ' ' ASP . 72.3 m95 -21.5 -55.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 270' ' ' ASP . 73.8 m-20 -44.57 -25.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.65 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . 1.209 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.7 pttt -99.97 -7.73 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 274' ' ' ILE . . . . . 0.593 ' N ' ' O ' ' A' ' 271' ' ' TRP . 15.3 mm -103.13 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . 0.705 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.8 mt -111.07 44.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 276' ' ' SER . . . . . 1.29 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.9 p 141.97 -38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 1.209 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.9 t80 -30.99 43.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 278' ' ' LYS . . . . . 1.29 ' N ' ' O ' ' A' ' 276' ' ' SER . 17.8 tptm -107.66 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 1.046 ' O ' ' O ' ' A' ' 280' ' ' GLY . 3.0 pt 54.25 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.11 0.0 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.547 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 302' ' ' SER . . . . . 0.505 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 19.5 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -42.77 -51.26 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.479 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -55.27 -34.22 63.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.64 -49.13 78.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.23 -40.6 77.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.437 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.85 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.37 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 96.5 m -68.1 -37.16 80.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.395 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.06 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.341 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.36 -38.41 84.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.339 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -68.36 -33.59 74.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.81 -43.76 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.0 mmm -64.4 -25.57 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . 0.415 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 63.9 mtp180 -82.31 -12.38 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 315' ' ' ARG . . . . . 0.587 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.5 mtt-85 -100.04 -46.87 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.518 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.66 147.73 95.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.59 128.38 20.8 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.859 2.372 . . . . 0.0 112.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -71.4 -4.1 14.3 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.913 2.409 . . . . 0.0 112.048 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -80.52 -17.87 50.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -123.9 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.4 -40.93 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -54.63 -54.41 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -54.67 -55.79 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.8 tp -47.13 -48.93 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.458 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.9 t -57.14 -49.68 75.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.382 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 61.1 tp -55.5 -41.06 72.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.507 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' ILE . . . . . 0.409 HG23 HD11 ' B' ' 329' ' ' ILE . 96.7 mt -65.44 -41.2 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.423 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -37.96 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.27 -29.06 64.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.54 84.64 9.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.473 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -68.16 -5.52 15.0 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.723 2.282 . . . . 0.0 112.082 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 96.5 p -89.35 -6.44 56.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.613 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.476 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 89.8 mt -119.07 20.9 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 11.6 t -64.1 -55.9 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.34 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.7 -36.16 73.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . 0.476 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 74.6 mt -79.04 -28.63 43.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' LEU . . . . . 0.643 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.4 mt -81.54 12.47 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.3 p -144.08 -3.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 59.7 p -119.38 -15.49 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 84.1 t -105.88 120.03 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.82 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.447 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.94 28.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.41 125.28 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.835 2.357 . . . . 0.0 112.095 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.67 122.48 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -88.65 148.79 23.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.93 136.36 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' ALA . . . . . 0.726 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.65 157.65 33.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.437 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -114.31 143.35 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.602 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.975 ' O ' ' N ' ' B' ' 356' ' ' GLY . 67.7 m-20 -111.9 81.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 88.7 tttt -37.23 -63.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.583 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' VAL . . . . . 0.498 HG21 ' H ' ' B' ' 355' ' ' VAL . 0.7 OUTLIER -39.5 -52.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' VAL . . . . . 0.498 ' H ' HG21 ' B' ' 354' ' ' VAL . 43.7 t -92.94 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.975 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.62 70.66 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 352' ' ' ASP . 13.4 tptm -115.06 154.93 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.613 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' ASP . . . . . 0.726 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 97.3 m-20 -94.84 143.1 26.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . 0.696 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.6 p90 -139.68 135.74 33.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 64.9 mt -69.19 156.65 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.41 ' HA ' HD22 ' B' ' 365' ' ' ASN . 66.3 mt -108.58 158.57 17.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 362' ' ' CYS . . . . . 0.441 ' O ' ' OD1' ' B' ' 365' ' ' ASN . 25.1 p -168.23 168.64 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 363' ' ' ASP . . . . . 0.643 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.9 t70 -75.56 -10.27 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 364' ' ' TYR . . . . . 0.623 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 42.1 m-85 -88.37 -18.17 28.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 365' ' ' ASN . . . . . 0.441 ' OD1' ' O ' ' B' ' 362' ' ' CYS . 33.7 p-10 -123.25 24.79 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -119.94 129.89 54.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -122.27 99.51 6.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.74 1.75 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.29 8.68 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 370' ' ' SER . . . . . 0.981 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.5 p -122.41 161.33 23.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.363 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 371' ' ' TYR . . . . . 1.117 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.1 m-85 -118.26 150.77 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.564 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . 0.596 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.3 ttp180 -98.81 124.75 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 373' ' ' SER . . . . . 0.577 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.4 t -79.54 133.71 59.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.808 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.84 -14.78 19.26 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.855 2.37 . . . . 0.0 112.241 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -85.9 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.6 p -83.15 -18.67 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.566 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 377' ' ' ASN . . . . . 0.577 ' HA ' ' O ' ' B' ' 373' ' ' SER . 42.6 t30 70.31 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -141.58 137.88 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 379' ' ' TYR . . . . . 1.117 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 34.9 m-85 -65.79 140.44 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.769 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.41 6.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.347 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 0.981 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.7 Cg_exo -65.41 120.02 7.15 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.952 2.435 . . . . 0.0 112.347 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -41.54 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.995 2.463 . . . . 0.0 112.306 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.63 ' CD2' ' H ' ' B' ' 384' ' ' GLU . 0.5 OUTLIER -84.5 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.51 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . 0.63 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 76.3 mt-10 -111.71 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -116.97 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.556 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.71 47.39 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 387' ' ' ALA . . . . . 0.575 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.99 127.25 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.7 mtt -132.25 148.57 70.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.95 150.71 49.44 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.789 2.326 . . . . 0.0 112.149 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 142.91 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.59 -43.79 5.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -67.9 -37.79 82.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.491 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.4 tp -70.9 -42.42 69.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . 0.564 ' NH1' ' OE1' ' B' ' 397' ' ' GLU . 25.1 tpt180 -55.34 -36.84 66.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -63.44 -46.65 85.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.42 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.302 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . 0.564 ' OE1' ' NH1' ' B' ' 394' ' ' ARG . 42.0 tt0 -67.76 -38.13 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.0 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.66 -37.03 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.357 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.96 94.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.399 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 401' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 58.3 m-80 -63.89 -39.01 93.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.362 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -72.17 -40.39 67.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.0 79.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -69.31 -29.22 67.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.59 -38.85 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -77.09 -32.85 56.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.354 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.8 -18.61 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 408' ' ' ARG . . . . . 0.574 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -83.86 -35.48 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.16 -8.94 58.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.566 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 410' ' ' LEU . . . . . 0.637 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 55.1 mt -95.86 -17.84 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 411' ' ' TYR . . . . . 0.705 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.06 3.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 90.9 m-85 -100.55 -25.97 14.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 63.58 24.3 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . 0.463 ' O ' ' CD ' ' B' ' 408' ' ' ARG . . . 162.74 -154.48 25.45 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.4 -163.49 52.94 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.8 t -128.7 153.73 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 39.9 t -143.59 148.46 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.67 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.4 m -148.17 143.99 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 55.9 t -132.86 130.23 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.53 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 59.6 m-85 -128.47 132.46 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.366 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.2 mt -119.66 158.39 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 422' ' ' TRP . . . . . 0.663 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 33.0 p90 -154.47 110.52 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.513 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -43.01 159.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 424' ' ' LEU . . . . . 0.45 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 57.1 mt -127.92 -147.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . 0.45 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 36.2 m-20 -87.29 -49.87 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.77 30.75 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.66 2.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.77 154.05 4.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . 0.663 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . 0.53 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.72 35.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 431' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.6 p -130.07 126.38 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 432' ' ' ILE . . . . . 0.421 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.35 113.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' B' ' 450' ' ' SER . 55.2 mt -102.85 143.2 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 434' ' ' ILE . . . . . 0.559 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 30.9 mt -148.72 119.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -122.55 127.53 49.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 436' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' B' ' 437' ' ' ALA . 0.0 OUTLIER -137.19 119.59 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.548 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . 0.523 ' N ' ' HD2' ' B' ' 436' ' ' LYS . . . -103.9 138.18 40.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.1 179.48 45.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 439' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' B' ' 441' ' ' SER . 5.5 t70 -50.72 128.08 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 441' ' ' SER . . . . . 0.571 ' N ' ' OD1' ' B' ' 439' ' ' ASP . 45.1 p -110.35 -4.31 15.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.664 ' HZ2' ' HE2' ' C' ' 640' ' ' HIS . 42.5 mmtt -89.19 153.92 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.485 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -56.93 -43.8 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 18.1 mt -95.15 135.94 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -105.74 154.72 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.36 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.44 24.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.49 130.62 14.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.206 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 448' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.1 t-105 -114.81 116.25 28.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 449' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 474' ' ' MET . 0.9 OUTLIER -109.47 127.22 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 450' ' ' SER . . . . . 0.559 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 0.9 OUTLIER -115.98 122.69 46.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 0.0 110.908 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.85 100.79 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 452' ' ' HIS . . . . . 0.604 ' ND1' ' OG ' ' B' ' 471' ' ' SER . 13.3 m-70 -108.69 132.47 53.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.83 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 67.2 t -128.77 95.65 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 11.7 p -96.71 153.63 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -131.84 102.21 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.31 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.06 139.63 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 458' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -40.31 146.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 459' ' ' LYS . . . . . 0.575 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.9 mmtp -109.33 141.98 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.96 -54.18 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.6 p -126.7 146.5 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 462' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.7 48.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 59.13 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.575 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.8 t -82.25 123.62 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.443 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.77 151.89 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 466' ' ' HIS . . . . . 0.527 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.4 t-160 -92.93 126.54 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.352 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -103.15 139.47 38.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . 0.403 ' CE ' ' NE2' ' B' ' 496' ' ' GLN . 87.8 tttt -135.81 86.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.149 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 469' ' ' LEU . . . . . 0.67 HD11 ' H ' ' B' ' 470' ' ' THR . 58.8 tp -82.15 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 470' ' ' THR . . . . . 0.67 ' H ' HD11 ' B' ' 469' ' ' LEU . 15.2 m -157.87 62.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 471' ' ' SER . . . . . 0.604 ' OG ' ' ND1' ' B' ' 452' ' ' HIS . 6.4 m -64.68 174.63 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.073 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 472' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 471' ' ' SER . 51.6 m -168.78 87.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.136 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 473' ' ' VAL . . . . . 0.461 HG13 ' CH2' ' B' ' 448' ' ' TRP . 76.8 t -69.66 143.79 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 474' ' ' MET . . . . . 0.467 ' O ' ' OD1' ' B' ' 449' ' ' ASP . 10.3 mtp -124.75 95.96 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.186 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 475' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 8.8 tp -86.65 131.15 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -125.27 130.28 51.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 10.0 mt -137.37 124.64 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 478' ' ' GLN . . . . . 0.502 ' CD ' HD22 ' B' ' 488' ' ' ASN . 54.0 tt0 -138.13 158.13 44.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.41 127.5 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.628 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 480' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 14.0 m120 -108.21 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 16.2 tptm -107.64 146.56 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.24 -45.94 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.66 -25.27 68.77 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 484' ' ' SER . . . . . 0.584 ' CB ' HD22 ' A' ' 246' ' ' ASN . 73.2 m -125.95 14.9 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 486' ' ' THR . . . . . 0.446 ' N ' ' O ' ' B' ' 484' ' ' SER . 72.2 p -126.06 113.96 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 23.5 ttt -125.12 118.07 25.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 488' ' ' ASN . . . . . 0.502 HD22 ' CD ' ' B' ' 478' ' ' GLN . 25.7 m120 -119.0 123.96 45.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 489' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 15.8 tp -131.64 76.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.86 21.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 491' ' ' GLY . . . . . 0.659 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.63 11.06 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 492' ' ' SER . . . . . 0.659 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 80.5 p 163.23 135.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.54 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 494' ' ' THR . . . . . . . . . . . . . 55.2 m -127.14 142.84 51.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -149.95 128.7 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 496' ' ' GLN . . . . . 0.403 ' NE2' ' CE ' ' B' ' 468' ' ' LYS . 45.8 tt0 -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 51.8 ttp -160.08 130.51 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.58 141.58 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -172.18 145.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.7 m-20 -91.25 125.19 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 501' ' ' GLU . . . . . 0.434 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.5 tt0 -120.66 160.21 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.8 m -94.29 131.84 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.65 122.39 50.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 19.7 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.97 -35.84 77.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 506' ' ' SER . . . . . 0.416 ' O ' ' OD1' ' A' ' 272' ' ' ASN . 78.2 p -83.66 -19.87 34.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.3 t -135.43 73.46 62.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.55 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.765 2.31 . . . . 0.0 112.168 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -58.75 -62.7 1.67 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.0 mt -42.72 -49.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.21 72.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 512' ' ' ASN . . . . . 0.434 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.8 m-20 -62.95 -48.19 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.1 -33.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.7 -46.61 74.06 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.32 -44.36 84.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.661 0.267 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.23 -52.54 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.558 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 50.2 t -55.45 -47.13 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.92 -51.69 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.758 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.59 -37.49 87.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 27.5 tpp -64.36 -49.45 71.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.695 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 521' ' ' GLU . . . . . 0.653 ' CA ' HH22 ' A' ' 259' ' ' ARG . 4.4 mt-10 -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.88 -41.5 78.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.57 -38.51 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 92.7 mt -74.38 -24.34 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 525' ' ' ARG . . . . . 0.649 ' CG ' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.69 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.693 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 526' ' ' SER . . . . . 0.537 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 4.9 t -84.99 -38.77 18.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.9 m -66.04 -35.71 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.681 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.693 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 40.2 mt -64.99 -42.36 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.55 -31.32 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . 0.96 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.39 -54.41 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 531' ' ' ILE . . . . . 0.431 HG21 HD13 ' B' ' 531' ' ' ILE . 48.8 mm -64.42 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 532' ' ' TYR . . . . . 0.693 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 14.0 m-85 -50.26 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.574 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.84 40.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . 0.96 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.06 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.9 tptt -56.9 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.501 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.622 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -57.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.35 -53.31 29.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.644 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.14 -44.97 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 539' ' ' ILE . . . . . 0.449 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 90.9 mt -61.72 -36.04 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.666 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.46 -42.0 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -69.73 -17.18 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.37 48.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 539' ' ' ILE . 15.1 mt -68.08 -51.44 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.715 0.293 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 544' ' ' ARG . . . . . 0.756 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.663 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 545' ' ' SER . . . . . 0.756 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 35.2 t -142.21 137.88 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.15 -43.48 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.86 138.63 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.627 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 548' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.11 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.44 112.64 30.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' B' ' 551' ' ' ASP . 72.1 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.869 2.379 . . . . 0.0 112.126 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' B' ' 550' ' ' PRO . 52.5 p-10 -25.27 145.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.95 116.18 18.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.3 -24.72 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 558' ' ' LEU . 1.8 mptm? -52.63 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -45.23 -56.59 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.65 -46.85 83.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 557' ' ' GLN . . . . . 0.408 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.7 tm0? -65.84 -29.65 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.5 tp -77.81 -30.29 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.702 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -73.65 -36.29 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.688 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.2 -40.58 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 561' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' B' ' 564' ' ' GLN . 97.4 mt-10 -67.84 -61.68 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.4 mt -49.12 -40.72 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.5 m -61.15 -76.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.3 pt20 -36.69 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.07 -42.69 67.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.637 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' B' ' 563' ' ' SER . 49.1 mt -81.49 -35.59 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.4 p -70.31 -19.57 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -117.54 6.64 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 24.3 ttp180 -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.8 ' O ' ' CB ' ' B' ' 571' ' ' ILE . 40.0 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 571' ' ' ILE . . . . . 0.8 ' CB ' ' O ' ' B' ' 570' ' ' GLN . 13.8 tt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.46 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 601' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.6 m 62.11 5.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.53 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 603' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' C' ' 601' ' ' MET . 96.9 m-20 -49.76 -37.86 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 604' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' C' ' 608' ' ' TRP . 64.9 tttp -69.66 -52.26 27.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -55.09 -28.92 56.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -75.64 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 607' ' ' MET . . . . . 0.411 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 12.0 ptt? -72.77 -36.82 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 608' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' C' ' 604' ' ' LYS . 73.6 t-105 -56.74 -16.08 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 609' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.44 -50.58 13.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 10.8 mt -66.31 1.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 611' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' C' ' 609' ' ' ALA . 18.8 mmtt -102.05 -66.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 612' ' ' ASN . . . . . 0.405 ' OD1' ' NE1' ' C' ' 608' ' ' TRP . 4.2 m120 -70.41 -4.18 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 613' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.97 58.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 614' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' C' ' 616' ' ' ASP . 3.6 m-20 -63.96 49.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 615' ' ' LEU . . . . . 0.621 ' O ' HD21 ' C' ' 615' ' ' LEU . 3.1 tm? -45.0 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 616' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' C' ' 614' ' ' ASP . 57.4 m-20 -77.78 -27.46 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 617' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' C' ' 614' ' ' ASP . 75.7 mm-40 -81.53 -49.87 10.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 618' ' ' VAL . . . . . 0.694 ' O ' ' CD2' ' C' ' 621' ' ' TYR . 1.4 m -62.86 -28.34 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -66.23 -21.87 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 620' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 34.3 t70 -75.38 -45.46 39.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 621' ' ' TYR . . . . . 0.882 ' CD1' ' N ' ' C' ' 622' ' ' VAL . 0.1 OUTLIER -60.91 -59.15 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 622' ' ' VAL . . . . . 0.882 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.4 p -57.75 -27.92 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 623' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.66 -16.76 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -64.76 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.38 0.1 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.4 mt-10 34.2 95.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.584 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.96 62.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 628' ' ' VAL . . . . . 0.534 ' CG2' ' OH ' ' C' ' 621' ' ' TYR . 1.9 t -121.98 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -173.06 5.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -78.99 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.538 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 25.7 p -82.08 87.61 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.0 tp -31.24 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -71.7 -76.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.75 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 635' ' ' GLY . . . . . 0.5 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.79 0.18 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 636' ' ' ARG . . . . . 0.576 ' NH2' ' OG1' ' A' ' 253' ' ' THR . 91.5 mtt180 -127.97 164.89 21.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.494 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 637' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.1 OUTLIER -108.4 156.98 37.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.614 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 638' ' ' PRO . . . . . 0.423 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 58.2 Cg_endo -73.59 24.98 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.849 2.366 . . . . 0.0 112.158 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 639' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.72 -16.31 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 640' ' ' HIS . . . . . 0.664 ' HE2' ' HZ2' ' B' ' 442' ' ' LYS . 77.5 t60 -75.2 -43.85 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.7 -36.01 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.87 -44.99 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.44 62.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 5.0 t70 -60.7 -35.65 76.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 645' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 28.0 t -160.82 65.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.621 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.13 4.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 647' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' C' ' 648' ' ' LEU . 24.7 mt-30 51.62 4.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.57 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 648' ' ' LEU . . . . . 0.615 ' H ' ' C ' ' C' ' 646' ' ' GLY . 0.2 OUTLIER 71.55 6.95 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 649' ' ' GLU . . . . . 0.411 ' CD ' HE21 ' C' ' 647' ' ' GLN . 8.4 pt-20 -115.68 -12.68 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 650' ' ' ILE . . . . . 0.458 HG21 HD11 ' C' ' 650' ' ' ILE . 1.0 OUTLIER -87.44 -36.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 1.038 ' H ' ' CD1' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 652' ' ' GLU . . . . . 1.029 ' H ' HD21 ' C' ' 651' ' ' LEU . 18.4 pt-20 -56.15 -22.62 29.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 653' ' ' PHE . . . . . 0.986 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.0 t80 -75.84 -97.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 654' ' ' LEU . . . . . 0.537 ' H ' ' CD2' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.44 6.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 655' ' ' LEU . . . . . 0.986 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.5 tt -102.95 -47.93 4.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.21 -25.38 63.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.57 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -72.8 -90.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 658' ' ' GLY . . . . . . . . . . . . . . . -65.32 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 659' ' ' ALA . . . . . 0.746 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.11 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 660' ' ' ASP . . . . . 0.476 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.4 10.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 661' ' ' ILE . . . . . 0.746 ' H ' ' C ' ' C' ' 659' ' ' ALA . 11.7 pt -66.08 1.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.496 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 662' ' ' ASN . . . . . 1.053 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.72 -18.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.66 0.28 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 664' ' ' PRO . . . . . 1.053 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.4 Cg_exo -46.97 120.85 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.828 2.352 . . . . 0.0 112.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -125.91 -50.48 1.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -78.86 -16.08 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 667' ' ' HIS . . . . . 0.5 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.56 -6.23 57.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 668' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' C' ' 668' ' ' HIS . 86.5 t60 40.49 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 6.0 tt -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.19 168.67 10.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 671' ' ' PRO . . . . . 0.498 ' O ' ' HB2' ' C' ' 674' ' ' SER . 49.5 Cg_endo -72.46 -30.48 12.36 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.828 2.352 . . . . 0.0 112.132 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 7.5 tt -45.34 -49.1 13.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 673' ' ' LEU . . . . . 0.609 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 44.6 mt -67.82 -27.85 67.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 674' ' ' SER . . . . . 0.498 ' HB2' ' O ' ' C' ' 671' ' ' PRO . 23.8 m -51.75 -40.9 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 675' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.0 61.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 676' ' ' VAL . . . . . 0.609 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.1 t -47.14 -66.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.512 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.8 39.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 678' ' ' GLU . . . . . 0.452 ' OE2' ' OG ' ' B' ' 441' ' ' SER . 31.3 tp10 -124.51 -28.64 3.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.28 -11.31 72.43 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 680' ' ' HIS . . . . . 0.915 ' C ' ' H ' ' C' ' 682' ' ' SER . 17.8 m80 -72.01 -53.46 12.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.23 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 682' ' ' SER . . . . . 0.915 ' H ' ' C ' ' C' ' 680' ' ' HIS . 78.1 p -67.5 -24.25 65.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 683' ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 1.0 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 684' ' ' VAL . . . . . . . . . . . . . 64.2 t -41.91 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.545 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 685' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' C' ' 687' ' ' LEU . 19.8 tptp -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.93 1.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 687' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.5 tt -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 7.1 tt -45.68 -21.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 689' ' ' SER . . . . . 0.426 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.6 t -55.75 -21.56 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -99.68 -6.26 27.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 691' ' ' GLY . . . . . 1.092 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 692' ' ' ALA . . . . . 0.577 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.16 18.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 693' ' ' ASP . . . . . 1.092 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.7 OUTLIER 33.13 -128.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -152.47 -23.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 38.0 m -156.53 73.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.552 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.5 -29.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -140.18 23.57 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.77 20.32 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 699' ' ' PRO . . . . . 0.636 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 89.3 Cg_exo -44.8 -27.76 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 0.0 112.11 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 700' ' ' ASP . . . . . 0.636 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 21.7 t70 157.72 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.37 89.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 702' ' ' LEU . . . . . 0.628 ' O ' ' C ' ' C' ' 703' ' ' THR . 8.3 mp -53.9 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 703' ' ' THR . . . . . 0.628 ' C ' ' O ' ' C' ' 702' ' ' LEU . 91.0 m 16.15 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 704' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' C' ' 707' ' ' ALA . . . -106.67 -18.65 13.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 705' ' ' LEU . . . . . 0.571 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 0.3 OUTLIER -62.83 -75.51 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 706' ' ' GLU . . . . . 0.545 ' HB3' ' HG ' ' C' ' 702' ' ' LEU . 3.5 tt0 -80.67 15.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' C' ' 703' ' ' THR . . . -83.43 -70.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 708' ' ' THR . . . . . 0.513 ' CG2' ' H ' ' C' ' 709' ' ' ASP . 1.7 m -139.79 -142.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 709' ' ' ASP . . . . . 0.513 ' H ' ' CG2' ' C' ' 708' ' ' THR . 78.4 m-20 -148.82 -4.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -72.57 151.84 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.55 -20.52 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.17 -60.41 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.666 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.02 -37.67 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -52.04 -29.93 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 716' ' ' LEU . . . . . 1.073 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.03 98.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 717' ' ' LEU . . . . . 1.073 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.2 mp 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 718' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.615 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.1 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -45.98 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -64.89 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.45 -39.35 87.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.58 -40.93 84.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 13' ' ' LYS . 9.1 mtmp? -63.69 -35.92 82.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -65.23 -43.79 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -61.53 -39.73 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -47.38 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.567 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.7 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.89 -41.34 91.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.16 -44.85 87.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 21' ' ' ILE . 96.7 mt -66.65 -46.48 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.57 ' HG1' ' HD1' ' A' ' 23' ' ' HIS . 74.0 p -76.01 8.44 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.57 ' HD1' ' HG1' ' A' ' 22' ' ' THR . 2.2 m80 -123.69 15.28 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.93 81.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.9 Cg_endo -68.16 167.54 21.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.808 2.338 . . . . 0.0 112.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -70.94 116.25 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.692 2.261 . . . . 0.0 112.108 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.15 21.44 35.54 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' OE2' ' NE ' ' B' ' 315' ' ' ARG . 52.1 mt-10 -149.3 37.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -73.85 -48.89 27.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -57.06 -57.39 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -44.5 -54.46 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.78 -42.53 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -59.15 -50.88 72.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.04 -37.93 81.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.684 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.08 -42.07 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -67.06 -41.83 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.595 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.434 ' HE ' ' CD2' ' A' ' 46' ' ' LEU . 42.3 ttm180 -56.4 -54.85 40.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.28 -34.77 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -73.17 -49.8 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.71 -32.6 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.588 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.464 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.58 49.71 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.9 m-20 -168.63 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.656 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -51.86 -37.87 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -54.2 -44.15 71.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.32 -30.81 54.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 ' CD2' ' HE ' ' A' ' 37' ' ' ARG . 36.9 tp -62.81 -38.64 91.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -40.92 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.581 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.91 48.65 0.92 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.13 -56.72 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.612 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.57 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -54.23 -37.08 64.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.36 12.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.458 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.55 -56.65 5.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 55' ' ' ALA . 59.4 tt0 -33.58 -45.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.02 -72.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -46.98 -30.96 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.611 ' SD ' ' N ' ' A' ' 60' ' ' ASP . 12.7 tmm? -68.84 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 57.8 m-20 -67.94 10.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 98.4 mm-40 -124.53 24.78 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.91 44.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 20.7 m -58.85 111.32 3.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.599 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.69 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.873 2.382 . . . . 0.0 112.208 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -109.44 165.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -125.21 103.93 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.66 ' O ' ' C ' ' A' ' 68' ' ' GLU . 1.6 mp -51.5 148.3 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.66 ' C ' ' O ' ' A' ' 67' ' ' ILE . 81.8 tt0 -13.28 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.44 75.1 0.32 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.798 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -137.48 14.84 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.619 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 62.1 t0 20.15 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 1.061 ' O ' ' N ' ' A' ' 74' ' ' VAL . 46.7 p-10 -98.82 19.43 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 23.6 mt-30 -0.23 50.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.487 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.061 ' N ' ' O ' ' A' ' 72' ' ' ASP . 10.3 p -63.93 173.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.713 HD21 ' N ' ' A' ' 75' ' ' LEU . 2.4 mm? -113.4 152.29 30.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.505 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG21 HD12 ' A' ' 76' ' ' ILE . 28.2 mm -104.05 105.5 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.5 p -130.15 -176.88 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -78.87 -31.24 45.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.562 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.0 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.23 15.7 50.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.51 100.08 11.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.77 0.319 . . . . 0.0 110.596 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.8 tp -49.67 -51.53 37.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -116.06 1.21 13.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.77 9.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -108.34 168.72 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 55.0 m-85 -114.51 -170.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.3 tp -118.33 157.39 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.682 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 5.7 t0 -139.35 89.05 12.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.569 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 24.2 Cg_exo -61.04 -36.63 81.35 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.847 2.364 . . . . 0.0 111.992 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -59.48 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.461 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.689 HD21 ' N ' ' A' ' 92' ' ' ASN . 0.6 OUTLIER -76.44 -20.33 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.581 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.682 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 28.3 ttmt 62.75 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.515 ' CD1' ' CD2' ' A' ' 70' ' ' TYR . 21.7 pt -146.52 154.42 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.807 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.7 m -92.65 133.02 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.588 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.722 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 24.0 p90 -140.14 136.62 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 88.4 tttt -88.69 113.42 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.61 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.856 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 46.9 t80 -82.65 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.562 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.672 ' H ' ' HB1' ' A' ' 105' ' ' ALA . 32.4 t0 -104.56 90.05 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.36 -67.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.0 tp -47.46 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.3 tpt180 -52.76 156.29 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -88.87 2.31 53.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -117.21 150.26 39.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.856 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.26 79.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 60.5 m -95.57 -164.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.72 54.55 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.556 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.807 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.55 -177.8 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.812 2.341 . . . . 0.0 112.083 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.13 124.6 2.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -47.17 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.885 2.39 . . . . 0.0 112.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 11.1 tm-20 -122.91 102.5 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 49.4 p-10 -75.48 88.43 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.4 t -46.92 164.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.11 -30.02 58.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.649 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.92 35.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.75 -59.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.501 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.81 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 21.3 tp -104.09 3.32 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.52 ' HZ3' ' CA ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.466 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -39.18 -55.96 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.539 ' CD1' HD13 ' A' ' 117' ' ' LEU . 60.5 m95 -62.54 -47.6 83.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.563 ' O ' ' C ' ' A' ' 122' ' ' ASP . 3.0 tmm_? -53.9 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.563 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.4 t0 -25.51 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.489 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.3 m -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.43 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.42 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.543 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 81.2 p -47.99 -46.16 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.33 -51.43 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.83 -12.29 60.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.469 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.543 ' HB3' ' O ' ' A' ' 126' ' ' SER . 44.9 ttm180 -66.37 -32.81 74.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.56 -39.26 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -54.73 -38.81 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' A' ' 134' ' ' ASP . 99.2 t -74.79 -40.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.475 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.4 mttt -76.16 25.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.3 m-20 -147.58 7.63 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.595 ' OH ' ' CE2' ' A' ' 173' ' ' TRP . 85.0 m-85 -114.63 106.45 52.22 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.438 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.58 -57.24 2.3 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.829 2.352 . . . . 0.0 112.031 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.62 12.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.536 ' CZ ' ' OE1' ' A' ' 73' ' ' GLN . 61.7 m-85 -135.1 158.13 45.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.338 . . . . 0.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.36 28.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.2 m -161.46 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 90' ' ' PRO . 41.5 t -75.73 143.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 43.3 m-85 -120.2 124.34 45.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.59 0.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -123.79 167.41 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.537 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 47.2 t -107.64 115.41 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 148' ' ' ILE . 1.2 tp -91.13 104.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 46.68 54.19 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.18 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.77 129.79 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.639 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 0.618 ' H ' HG23 ' A' ' 181' ' ' ILE . 8.7 mt-30 -85.76 150.51 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.472 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.94 ' OG1' ' HA ' ' A' ' 180' ' ' THR . 99.4 m -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.557 ' N ' HG22 ' A' ' 153' ' ' THR . 15.6 mm -108.49 109.98 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.436 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.567 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 3.2 mp -98.08 117.05 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.88 116.08 27.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.209 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.0 m -106.14 135.43 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 4.9 mp -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.542 ' OE2' ' ND1' ' A' ' 161' ' ' HIS . 14.7 tm-20 -131.3 151.91 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.727 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.0 OUTLIER -170.94 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.186 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 8.0 p-80 -140.65 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.972 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.4 mm-40 -148.62 77.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.223 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -65.35 147.43 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.58 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 30.4 tp60 -167.93 66.08 0.74 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.349 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.2 Cg_exo -60.69 -52.09 4.18 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.803 2.335 . . . . 0.0 112.139 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . 0.687 ' N ' ' O ' ' A' ' 165' ' ' PRO . 58.0 t-20 -121.96 -10.48 8.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.832 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 44.1 m-85 70.11 80.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.832 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 9.3 p-90 158.81 127.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -136.02 162.39 33.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.558 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 0.1 OUTLIER -165.7 136.65 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.353 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' TRP . . . . . 0.727 ' N ' ' O ' ' A' ' 160' ' ' SER . 3.4 t-105 -107.6 138.92 42.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.428 ' HB3' ' CB ' ' A' ' 193' ' ' LYS . 39.5 ttt180 -125.41 152.26 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.165 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' SER . . . . . 0.523 ' HG ' ' HE1' ' A' ' 177' ' ' TRP . 0.3 OUTLIER -166.3 111.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.015 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.702 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 80.9 tt0 -116.41 124.68 50.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.119 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.539 ' HA ' ' CB ' ' A' ' 190' ' ' ALA . 24.4 m95 -120.59 116.91 26.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.902 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -98.6 119.79 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.416 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.723 ' O ' ' HA ' ' A' ' 153' ' ' THR . 56.9 t80 -117.49 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.744 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.94 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.9 t -50.09 -131.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.577 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . 0.692 ' O ' ' OG1' ' A' ' 182' ' ' THR . 9.9 tp -164.35 151.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.919 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.46 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.427 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 1.021 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 95.9 Cg_exo -34.32 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 123.434 2.756 . . . . 0.0 112.713 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.919 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.9 Cg_endo -79.84 -4.34 13.33 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.805 2.336 . . . . 0.0 112.089 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' THR . . . . . 1.031 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.261 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 1.103 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.84 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.961 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 1.032 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 85.5 mt-30 -106.76 -115.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.217 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.767 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 2.1 t 145.67 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.79 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.447 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.813 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.437 ' CG2' ' OD1' ' A' ' 211' ' ' ASP . 3.7 p -165.73 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.501 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . 0.69 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 3.2 mp -85.57 157.82 20.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 174' ' ' ARG . 27.8 mttt -150.36 147.86 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 5.7 mt -149.49 134.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.628 ' NE2' ' NE2' ' A' ' 205' ' ' GLN . 57.0 tt0 -142.33 130.24 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.706 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 70.6 t -132.67 136.61 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.157 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . 0.768 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 73.3 t60 -126.49 141.56 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 53.7 t80 -145.56 87.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.06 87.77 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 60.7 tt0 -129.47 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 87.6 m-20 114.78 2.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.7 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 203' ' ' ASN . 0.8 OUTLIER -172.84 99.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.636 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.0 129.19 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.526 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' GLN . . . . . 0.706 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.7 tt0 -136.77 154.15 50.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . 0.412 ' C ' ' CD2' ' A' ' 206' ' ' LEU . 4.7 tt -122.34 87.26 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.676 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . 0.486 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 11.2 t -90.14 122.27 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 22.9 t -149.59 147.2 27.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -157.81 145.1 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.215 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -135.44 129.06 32.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 110.926 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . 0.437 ' OD1' ' CG2' ' A' ' 191' ' ' VAL . 63.4 m-20 -103.62 129.83 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.215 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.86 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.923 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.366 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' ASP . . . . . 0.62 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 93.0 m-20 -118.8 166.05 13.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.718 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' SER . . . . . 1.032 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 94.8 p -117.82 103.35 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' VAL . . . . . 1.103 ' O ' ' O ' ' A' ' 186' ' ' ALA . 97.9 t -91.9 166.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.677 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . 1.031 ' HA ' ' O ' ' A' ' 185' ' ' THR . 0.0 OUTLIER -102.65 128.06 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.618 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 1.021 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 83.2 t -85.99 137.51 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.1 t -131.08 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 -163.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -86.8 -62.64 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.08 -24.75 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -73.91 -56.77 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 96.4 m -54.66 -36.84 65.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.09 14.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -57.06 -30.56 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.6 -38.77 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 10.6 t80 -67.72 -53.95 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.409 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' ILE . . . . . 0.628 ' O ' HG12 ' A' ' 232' ' ' ILE . 1.7 mp -52.11 -27.35 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.409 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -74.85 -36.69 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' ILE . . . . . 0.455 HG22 HD12 ' A' ' 231' ' ' ILE . 32.2 mm -67.55 -41.19 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.442 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 229' ' ' ILE . 7.7 pt -70.14 -44.46 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.377 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 236' ' ' GLU . 81.7 tt0 -57.05 -47.03 81.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.466 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -69.62 -43.88 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.428 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' GLU . . . . . 0.578 ' OE2' ' ND2' ' A' ' 237' ' ' ASN . 1.1 pp20? -60.25 -44.12 95.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.404 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' ASN . . . . . 0.578 ' ND2' ' OE2' ' A' ' 236' ' ' GLU . 9.7 m120 -60.07 -40.14 88.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.427 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -69.83 -34.33 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -68.5 -44.37 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -68.22 -39.0 82.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 20.0 m -61.38 -45.79 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.65 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 40.9 mt -69.19 -47.55 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.67 -34.2 73.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -66.95 -42.9 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . 0.42 ' O ' ' SD ' ' A' ' 250' ' ' MET . 98.3 m-20 -62.12 -34.62 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.512 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 247' ' ' TYR . . . . . 0.467 ' OH ' ' OG1' ' B' ' 536' ' ' THR . 0.5 OUTLIER -64.92 -31.87 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -73.25 -50.87 19.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 249' ' ' THR . . . . . 0.541 ' O ' ' HB ' ' A' ' 253' ' ' THR . 24.3 m -64.79 -34.84 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 250' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 31.2 mtp -72.83 -14.56 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.0 p -112.95 -10.09 13.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 252' ' ' ASP . . . . . 0.697 ' O ' ' OG1' ' A' ' 253' ' ' THR . 67.3 t0 -132.12 47.76 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.567 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 253' ' ' THR . . . . . 0.697 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 17.5 m 175.76 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 254' ' ' THR . . . . . 0.462 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 12.1 m -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -47.68 -57.47 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -64.27 -11.71 34.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.27 30.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -77.98 -91.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 259' ' ' ARG . . . . . 0.446 ' CD ' ' CH2' ' B' ' 448' ' ' TRP . 16.5 ptm180 -98.58 174.44 6.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.464 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 260' ' ' ARG . . . . . 0.566 ' NH1' ' OE1' ' C' ' 633' ' ' GLU . 27.0 mmt180 -109.16 153.19 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -83.69 -11.28 57.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.58 133.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.525 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 263' ' ' PRO . . . . . 0.718 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.1 Cg_exo -43.99 135.36 7.95 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.934 2.423 . . . . 0.0 112.059 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 264' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 263' ' ' PRO . 6.3 m -37.72 -38.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 67.1 p -64.25 -5.39 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 63.3 ttt180 54.06 55.61 8.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.547 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.26 114.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.3 mttt -16.76 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 269' ' ' ILE . . . . . 0.421 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 10.8 tt -50.25 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.4 OUTLIER -117.15 58.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.521 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 271' ' ' TRP . . . . . 0.603 ' O ' ' N ' ' A' ' 274' ' ' ILE . 83.0 m95 -21.45 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.8 t-20 -44.59 -25.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . 1.223 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 63.3 mttp -99.95 -7.68 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 274' ' ' ILE . . . . . 0.603 ' N ' ' O ' ' A' ' 271' ' ' TRP . 2.0 mp -103.22 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.06 44.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.569 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 276' ' ' SER . . . . . 1.296 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.6 m 141.93 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 1.223 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.4 t80 -31.01 43.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 278' ' ' LYS . . . . . 1.296 ' N ' ' O ' ' A' ' 276' ' ' SER . 88.7 tttt -107.7 80.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 1.8 pt 54.23 3.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.48 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 302' ' ' SER . . . . . 0.508 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 10.7 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -42.72 -51.22 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -55.34 -34.15 63.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.474 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' B' ' 302' ' ' SER . 95.7 mt-30 -60.71 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.23 -40.62 77.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.84 95.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.35 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.2 m -68.08 -37.11 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.2 96.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.296 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.31 -38.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.365 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.31 -33.69 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.379 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 64.0 tp -68.75 -43.76 75.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.377 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 69.4 mmm -64.39 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -82.3 -12.4 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.398 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 315' ' ' ARG . . . . . 0.588 HH11 ' HG2' ' B' ' 315' ' ' ARG . 5.7 mmt-85 -100.08 -46.84 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.522 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.63 147.75 95.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.69 128.4 21.14 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.827 2.352 . . . . 0.0 112.022 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.41 -4.1 14.31 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.88 2.387 . . . . 0.0 112.097 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -80.49 -17.89 50.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -123.88 39.49 3.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.43 -40.84 90.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.67 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.574 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.6 -54.45 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.49 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -54.61 -55.78 25.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.502 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 41.3 tp -47.18 -48.96 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.409 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.2 t -57.12 -49.63 75.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -62.38 -40.77 97.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 60.8 tp -55.5 -41.03 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.511 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' ILE . . . . . 0.432 HD13 HG23 ' B' ' 329' ' ' ILE . 96.7 mt -65.47 -41.19 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.79 -37.9 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.448 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 11.2 mt -71.24 -29.09 64.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.53 84.59 9.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.12 -5.56 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.733 2.289 . . . . 0.0 112.059 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.36 -6.44 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.465 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 75.3 mt -119.03 20.89 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.614 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 28.2 p -64.06 -55.95 18.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.596 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 80.7 tt0 -60.34 -50.47 73.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.66 -36.21 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . 0.465 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 76.2 mt -79.07 -28.61 43.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 35.0 mt -81.49 12.42 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 57.0 p -144.13 -3.64 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 50.9 p -119.37 -15.55 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.85 120.08 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.84 128.66 35.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.502 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.34 165.91 29.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.4 125.25 5.8 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.869 2.379 . . . . 0.0 112.101 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.71 122.49 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.675 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' LYS . . . . . 0.621 ' O ' HD11 ' B' ' 361' ' ' LEU . 29.2 mmtp -88.65 148.84 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.6 tt -102.98 136.39 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.702 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' ALA . . . . . 0.721 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.66 157.67 33.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.466 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -114.37 143.35 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 29.2 t0 -111.9 81.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.7 mttp -37.27 -63.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.594 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' VAL . . . . . 0.488 HG21 ' H ' ' B' ' 355' ' ' VAL . 0.1 OUTLIER -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' VAL . . . . . 0.488 ' H ' HG21 ' B' ' 354' ' ' VAL . 8.8 t -92.97 -25.48 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.626 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.72 70.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 69.8 mmtt -115.1 154.84 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' ASP . . . . . 0.721 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.6 m-20 -94.75 143.08 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . 0.702 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 47.5 p90 -139.68 135.72 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.15 156.66 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . 0.621 HD11 ' O ' ' B' ' 348' ' ' LYS . 5.4 mp -108.58 158.53 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 362' ' ' CYS . . . . . . . . . . . . . 21.4 p -168.2 168.68 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 6.0 p-10 -75.49 -10.33 59.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.443 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 365' ' ' ASN . . . . . 0.507 ' HB3' ' CD2' ' B' ' 420' ' ' TYR . 5.4 p-10 -123.19 24.71 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -119.9 129.85 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -122.16 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.83 1.76 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 369' ' ' ASP . 54.6 t0 -126.2 8.67 7.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.592 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 370' ' ' SER . . . . . 0.985 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 16.0 p -122.37 161.36 23.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 371' ' ' TYR . . . . . 1.117 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 55.5 m-85 -118.34 150.8 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . 0.61 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 1.8 ttt180 -98.75 124.72 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 373' ' ' SER . . . . . 0.575 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 62.8 p -79.6 133.78 58.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 374' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.2 Cg_endo -75.93 -14.73 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.799 2.332 . . . . 0.0 112.208 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -85.9 -66.29 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.1 p -83.14 -18.59 38.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 377' ' ' ASN . . . . . 0.575 ' HA ' ' O ' ' B' ' 373' ' ' SER . 5.3 m120 70.24 40.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -141.52 137.88 32.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 379' ' ' TYR . . . . . 1.117 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 31.7 m-85 -65.75 140.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.755 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.98 -60.43 6.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.319 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 0.985 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.43 120.07 7.21 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.984 2.456 . . . . 0.0 112.277 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -41.58 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.48 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.535 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -117.02 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.16 151.71 47.44 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 387' ' ' ALA . . . . . 0.563 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.94 127.26 30.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -132.27 148.62 70.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 389' ' ' PRO . . . . . 0.415 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.3 Cg_endo -73.01 150.78 49.16 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.769 2.313 . . . . 0.0 112.106 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 47.3 t -52.74 142.9 17.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.55 -43.82 5.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.86 -37.82 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.91 -42.44 69.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -55.32 -36.83 66.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.54 -46.57 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.4 -31.97 73.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -67.82 -38.0 82.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.04 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.73 -36.97 79.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.343 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.9 94.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.96 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.15 -40.42 68.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.37 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.95 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -69.36 -29.23 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.41 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.436 ' CG ' HH21 ' B' ' 408' ' ' ARG . 64.0 t0 -54.67 -38.78 67.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.446 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -77.08 -32.87 57.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 407' ' ' TYR . . . . . 0.44 ' OH ' ' OE1' ' B' ' 521' ' ' GLU . 53.3 t80 -69.76 -18.63 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.481 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 408' ' ' ARG . . . . . 0.557 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.86 -35.5 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 409' ' ' ASP . . . . . 0.534 ' CB ' ' HZ1' ' C' ' 604' ' ' LYS . 13.9 m-20 -85.18 -8.92 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.525 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 410' ' ' LEU . . . . . 0.643 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.9 mt -95.87 -17.89 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 411' ' ' TYR . . . . . 0.718 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.539 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.556 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 9.7 m-85 -100.59 -25.96 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.521 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 413' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.7 mt-10 63.54 24.34 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' B' ' 408' ' ' ARG . . . 162.72 -154.44 25.4 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.41 -163.45 52.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' B' ' 435' ' ' LYS . 13.2 m -128.74 153.7 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 417' ' ' SER . . . . . 0.557 ' N ' HH12 ' B' ' 408' ' ' ARG . 92.7 p -143.59 148.52 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 418' ' ' SER . . . . . 0.597 ' OG ' ' OH ' ' B' ' 420' ' ' TYR . 3.7 t -148.24 143.92 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.77 130.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.597 ' OH ' ' OG ' ' B' ' 418' ' ' SER . 0.8 OUTLIER -128.51 132.45 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.332 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.65 158.4 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -154.49 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.499 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -43.03 159.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 424' ' ' LEU . . . . . 0.453 ' HB3' ' H ' ' B' ' 425' ' ' ASP . 56.5 mt -127.8 -147.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.609 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . 0.453 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 29.9 m-20 -87.36 -49.76 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.81 30.65 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.66 2.57 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -170.71 154.15 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -124.03 172.8 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.552 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.11 161.74 35.07 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 431' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 83.1 t -130.09 126.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 432' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.36 113.66 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' B' ' 450' ' ' SER . 65.4 mt -102.87 143.19 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 434' ' ' ILE . . . . . 0.462 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.74 119.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.614 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 435' ' ' LYS . . . . . 0.46 ' HB3' ' CG2' ' B' ' 416' ' ' VAL . 46.8 tttp -122.51 127.49 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 436' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.1 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.17 40.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.77 128.1 19.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.548 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.65 9.73 76.08 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 90.3 p -110.32 -4.33 15.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . 0.6 ' HZ2' ' CG ' ' C' ' 644' ' ' ASP . 31.4 mmtt -89.14 153.85 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.91 -43.79 81.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 57.5 mt -95.12 135.96 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -105.78 154.71 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.41 24.52 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 5.2 t -149.46 130.67 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 448' ' ' TRP . . . . . 0.497 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 8.5 t-105 -114.79 116.18 28.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.44 127.18 54.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 450' ' ' SER . . . . . 0.462 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.9 122.76 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 451' ' ' ILE . . . . . 0.406 HD13 HG23 ' B' ' 451' ' ' ILE . 87.0 mt -127.89 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.287 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 452' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 8.3 m80 -108.64 132.37 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.875 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 26.3 t -128.67 95.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.268 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -131.83 102.15 5.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.311 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 58.2 t -79.05 139.65 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -123.48 68.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 458' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' B' ' 509' ' ' HIS . 80.5 mm-40 -40.29 146.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 459' ' ' LYS . . . . . 0.594 ' CG ' ' O ' ' B' ' 464' ' ' THR . 35.3 mmtm -109.33 141.91 41.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.97 -54.11 16.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 34.4 p -126.72 146.52 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 462' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.7 48.15 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 463' ' ' ARG . . . . . 0.652 ' CG ' HH11 ' B' ' 463' ' ' ARG . 0.0 OUTLIER 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.584 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.594 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.25 123.66 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.454 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.75 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -92.91 126.54 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.333 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -103.17 139.46 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.968 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -135.85 86.14 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.191 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 469' ' ' LEU . . . . . 0.654 HD12 ' H ' ' B' ' 470' ' ' THR . 55.3 tp -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 470' ' ' THR . . . . . 0.654 ' H ' HD12 ' B' ' 469' ' ' LEU . 17.2 m -157.87 62.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.084 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 471' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 25.4 p -64.62 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.09 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 472' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 471' ' ' SER . 52.7 m -168.81 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.128 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 473' ' ' VAL . . . . . 0.538 ' O ' ' OG ' ' B' ' 492' ' ' SER . 98.2 t -69.72 143.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 474' ' ' MET . . . . . 0.574 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 3.0 ttt -124.78 95.99 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.191 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 475' ' ' LEU . . . . . 0.528 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 47.0 tp -86.68 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.258 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.34 124.67 21.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.747 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 478' ' ' GLN . . . . . 0.669 ' CD ' ' H ' ' B' ' 479' ' ' THR . 41.8 tp60 -138.17 158.08 45.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.472 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 479' ' ' THR . . . . . 0.669 ' H ' ' CD ' ' B' ' 478' ' ' GLN . 21.9 m -163.4 127.44 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.655 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 480' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.16 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttp -107.64 146.65 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.2 68.72 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 484' ' ' SER . . . . . 0.451 ' O ' ' N ' ' B' ' 486' ' ' THR . 37.6 p -125.96 14.86 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.525 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 486' ' ' THR . . . . . 0.451 ' N ' ' O ' ' B' ' 484' ' ' SER . 11.7 p -126.06 114.02 17.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 487' ' ' MET . . . . . 0.444 ' O ' ' OE1' ' B' ' 478' ' ' GLN . 27.2 ttt -125.12 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.551 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 488' ' ' ASN . . . . . 0.667 ' ND2' ' N ' ' B' ' 488' ' ' ASN . 0.0 OUTLIER -119.06 123.98 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 489' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.4 tp -131.68 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.38 -163.86 21.82 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 491' ' ' GLY . . . . . 0.538 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.86 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 492' ' ' SER . . . . . 0.574 ' HB2' ' HA ' ' B' ' 474' ' ' MET . 23.4 t 163.22 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.487 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.57 149.44 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 494' ' ' THR . . . . . 0.421 ' O ' ' HG2' ' B' ' 495' ' ' ARG . 55.5 m -127.11 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 495' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.6 mmt180 -149.96 128.74 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 496' ' ' GLN . . . . . 0.559 ' CD ' ' H ' ' B' ' 496' ' ' GLN . 1.0 OUTLIER -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.3 ttm -160.06 130.43 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.65 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -133.52 141.6 47.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -172.24 145.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.8 p-10 -91.29 125.19 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -120.67 160.17 23.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 52.2 m -94.3 131.86 39.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.57 122.4 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.4 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.88 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.0 p -83.68 -19.75 34.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 39.9 t -135.56 73.43 62.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -72.61 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.166 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 509' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' B' ' 458' ' ' GLU . 57.0 m80 -58.69 -62.8 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.65 -49.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.23 71.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -62.98 -48.21 79.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.03 -33.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.61 74.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -57.33 -44.33 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.714 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.23 -52.52 61.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.43 -47.21 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.89 -51.69 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.769 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 519' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.6 t0 -63.54 -37.48 87.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.762 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 33.1 tpp -64.43 -49.37 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 521' ' ' GLU . . . . . 0.44 ' OE1' ' OH ' ' B' ' 407' ' ' TYR . 94.3 mt-10 -62.59 -45.29 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.89 -41.46 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -70.59 -38.49 74.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.776 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 524' ' ' ILE . . . . . 0.474 HG21 HD12 ' B' ' 524' ' ' ILE . 27.4 mm -74.44 -24.35 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 525' ' ' ARG . . . . . 0.619 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.68 -27.66 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.701 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 526' ' ' SER . . . . . 0.544 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.1 t -85.04 -38.71 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.713 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 61.8 p -66.07 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.667 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 4.1 mp -64.97 -42.38 94.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -68.56 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . 0.977 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.32 -54.45 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.652 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.48 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 532' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 20.9 m-85 -50.29 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.79 40.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . 0.977 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' B' ' 536' ' ' THR . 17.8 mtpt -56.91 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.514 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.642 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 42.4 p -34.72 -58.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.34 -53.32 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -53.16 -44.91 68.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.8 -36.03 71.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.44 -42.0 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.78 -17.1 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.32 48.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . 0.438 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.11 -51.46 46.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 544' ' ' ARG . . . . . 0.545 ' NH1' ' CZ3' ' A' ' 173' ' ' TRP . 32.9 ptt180 -141.79 170.09 16.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 545' ' ' SER . . . . . . . . . . . . . 35.5 t -142.17 137.88 31.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 13.5 tt -69.1 -43.51 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.9 138.61 33.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 548' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.48 122.08 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 551' ' ' ASP . 80.5 mt -79.49 112.78 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.5 Cg_exo -46.66 80.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 50.1 p-10 -25.32 145.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.635 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -129.86 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.27 -24.78 27.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' B' ' 558' ' ' LEU . 5.5 ttpm? -52.54 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -45.24 -56.64 4.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -46.94 83.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.706 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 557' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' B' ' 557' ' ' GLN . 15.6 tm0? -65.84 -29.62 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.2 tp -77.78 -30.4 51.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.55 -36.32 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -58.24 -40.54 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 561' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -67.83 -61.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.706 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.868 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 49.3 tp -49.09 -40.71 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.7 m -61.19 -76.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.761 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' B' ' 564' ' ' GLN . 1.3 tm0? -36.71 -13.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.724 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.868 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.1 t -72.07 -42.68 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' B' ' 563' ' ' SER . 43.1 mt -81.46 -35.57 30.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.1 p -70.3 -19.62 63.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -117.55 6.66 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . 0.81 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.859 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 8.6 pt20 139.73 128.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.682 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 571' ' ' ILE . . . . . 0.859 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 57.1 mt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 601' ' ' MET . . . . . 0.506 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.2 m 62.15 5.96 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.515 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -49.81 -37.84 32.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 604' ' ' LYS . . . . . 0.534 ' HZ1' ' CB ' ' B' ' 409' ' ' ASP . 57.6 mttt -69.64 -52.22 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.1 -28.91 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -75.67 -53.64 8.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 607' ' ' MET . . . . . . . . . . . . . 38.4 ttp -72.87 -36.74 67.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 608' ' ' TRP . . . . . 0.421 ' N ' ' O ' ' C' ' 604' ' ' LYS . 76.7 t-105 -56.81 -16.0 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 609' ' ' ALA . . . . . 0.445 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.61 13.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.3 2.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 611' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' C' ' 609' ' ' ALA . 63.5 tttp -102.06 -66.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.35 -4.31 21.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 613' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.03 21.93 58.31 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 614' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' C' ' 617' ' ' GLU . 11.1 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 615' ' ' LEU . . . . . 0.778 ' O ' HD23 ' C' ' 615' ' ' LEU . 2.6 tm? -44.98 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 616' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.7 m-20 -77.74 -27.52 50.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.527 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 617' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' C' ' 614' ' ' ASP . 53.1 tp10 -81.49 -49.86 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 12.0 p -62.9 -28.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -66.29 -21.83 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 620' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 65.0 t0 -75.34 -45.4 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.94 -59.22 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.71 -27.88 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 623' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.67 -16.79 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.603 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 625' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.36 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 626' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' C' ' 625' ' ' GLY . 6.5 pt-20 34.26 95.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 627' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 89.2 m-20 -140.98 62.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 628' ' ' VAL . . . . . 0.652 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.3 t -121.93 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -173.02 5.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.668 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 630' ' ' ARG . . . . . 0.431 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.8 mtt-85 -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.05 87.66 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.635 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 46.5 tp -31.35 -88.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.566 ' OE1' ' NH1' ' A' ' 260' ' ' ARG . 75.1 tt0 -71.71 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.66 -11.34 0.07 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 635' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.44 22.74 0.18 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -127.93 164.91 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 637' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' C' ' 639' ' ' LEU . 3.4 pttt -108.41 156.99 37.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 638' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' C' ' 637' ' ' LYS . 56.7 Cg_endo -73.68 25.07 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.83 2.354 . . . . 0.0 112.093 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 639' ' ' LEU . . . . . 0.456 ' H ' ' C ' ' C' ' 637' ' ' LYS . 6.3 mp -117.78 -16.29 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.23 -43.86 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -71.73 -36.01 70.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.443 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 642' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.89 -44.97 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.47 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 644' ' ' ASP . . . . . 0.6 ' CG ' ' HZ2' ' B' ' 442' ' ' LYS . 16.7 t0 -60.63 -35.69 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 21.8 p -160.89 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 646' ' ' GLY . . . . . 0.674 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 647' ' ' GLN . . . . . 0.593 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.1 mt-30 51.74 4.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.493 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 648' ' ' LEU . . . . . 0.825 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.57 7.01 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.8 -12.58 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 650' ' ' ILE . . . . . 0.455 HG22 HD11 ' C' ' 650' ' ' ILE . 1.1 mm -87.57 -36.12 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.618 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 1.082 HD23 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.31 -52.95 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 652' ' ' GLU . . . . . 1.082 ' H ' HD23 ' C' ' 651' ' ' LEU . 44.4 tt0 -56.22 -22.58 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 85.3 t80 -75.84 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 654' ' ' LEU . . . . . 0.652 ' O ' HG11 ' C' ' 628' ' ' VAL . 0.6 OUTLIER -41.41 6.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.8 tp -102.91 -47.87 4.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.564 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.31 -25.41 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 657' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' C' ' 658' ' ' GLY . 32.2 tptt -72.75 -90.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 658' ' ' GLY . . . . . 0.436 ' H ' ' HB3' ' C' ' 657' ' ' LYS . . . -65.33 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 659' ' ' ALA . . . . . 0.726 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.03 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.565 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 660' ' ' ASP . . . . . 0.476 ' C ' ' H ' ' C' ' 662' ' ' ASN . 70.2 m-20 -57.4 10.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 661' ' ' ILE . . . . . 0.726 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.3 tt -66.04 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 662' ' ' ASN . . . . . 1.076 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 10.7 t-20 -163.68 -18.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 663' ' ' ALA . . . . . 0.76 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.61 0.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 664' ' ' PRO . . . . . 1.076 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 58.9 Cg_exo -47.0 120.82 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.104 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 665' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.6 p-10 -125.88 -50.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -78.76 -16.19 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 667' ' ' HIS . . . . . 0.527 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 37.8 m80 -80.45 -6.32 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 40.52 37.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 15.7 tt -176.84 147.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.23 168.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 671' ' ' PRO . . . . . 0.525 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.53 -30.49 12.16 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.105 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 10.2 tp -45.37 -49.03 13.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 673' ' ' LEU . . . . . 0.639 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 14.3 mt -67.88 -27.81 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 674' ' ' SER . . . . . 0.525 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.3 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.534 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 675' ' ' ALA . . . . . . . . . . . . . . . -74.57 -29.97 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 676' ' ' VAL . . . . . 0.639 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 4.0 t -47.18 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -77.81 39.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 678' ' ' GLU . . . . . 0.575 ' O ' ' CD ' ' C' ' 678' ' ' GLU . 0.0 OUTLIER -124.47 -28.67 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.3 72.46 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 680' ' ' HIS . . . . . 0.902 ' C ' ' H ' ' C' ' 682' ' ' SER . 6.5 m80 -72.0 -53.47 12.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 681' ' ' VAL . . . . . 0.605 ' O ' HG22 ' C' ' 684' ' ' VAL . 9.4 m 43.27 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 682' ' ' SER . . . . . 0.902 ' H ' ' C ' ' C' ' 680' ' ' HIS . 2.2 m -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 683' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.0 p -90.92 -48.68 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 684' ' ' VAL . . . . . 0.654 ' N ' ' SG ' ' C' ' 683' ' ' CYS . 2.9 m -41.89 -34.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 685' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' C' ' 687' ' ' LEU . 98.7 mttt -62.52 -73.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.94 1.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 687' ' ' LEU . . . . . 0.526 ' H ' ' C ' ' C' ' 685' ' ' LYS . 8.2 tp -81.95 -70.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 10.9 mp -45.64 -21.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 689' ' ' SER . . . . . 0.41 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.7 m -55.73 -21.52 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -99.64 -6.31 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.579 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.5 OUTLIER 33.14 -128.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -152.49 -23.69 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 695' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' C' ' 695' ' ' THR . 9.3 t -156.49 73.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.558 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 696' ' ' VAL . . . . . 0.403 ' CG1' HD22 ' C' ' 662' ' ' ASN . 4.9 t -93.45 -29.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -140.16 23.55 2.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.72 142.75 20.3 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 699' ' ' PRO . . . . . 0.633 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 76.3 Cg_exo -44.77 -27.73 2.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.817 2.345 . . . . 0.0 112.162 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 700' ' ' ASP . . . . . 0.633 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 36.2 t0 157.7 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 701' ' ' GLY . . . . . 0.576 ' H ' ' CG ' ' C' ' 700' ' ' ASP . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.8 tt -53.85 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.577 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 703' ' ' THR . . . . . 0.647 ' C ' ' O ' ' C' ' 702' ' ' LEU . 0.0 OUTLIER 16.16 -95.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 704' ' ' ALA . . . . . 0.525 ' N ' ' OG1' ' C' ' 703' ' ' THR . . . -106.61 -18.66 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 705' ' ' LEU . . . . . 0.56 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.6 tt -62.87 -75.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -80.76 15.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 708' ' ' THR . . . . . 0.457 ' CG2' ' H ' ' C' ' 709' ' ' ASP . 1.3 m -139.76 -142.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 709' ' ' ASP . . . . . 0.457 ' H ' ' CG2' ' C' ' 708' ' ' THR . 52.8 p30 -148.78 -4.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -72.56 151.84 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -71.56 -20.52 62.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.3 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 713' ' ' ILE . . . . . 0.426 HD11 HG22 ' C' ' 713' ' ' ILE . 0.0 OUTLIER -70.03 -37.72 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.01 -29.94 23.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 716' ' ' LEU . . . . . 1.092 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.06 98.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 717' ' ' LEU . . . . . 1.092 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.5 mm? 124.11 -176.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.595 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 718' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 34.6 tt0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.595 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 11.2 p -54.08 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.759 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.1 t -45.98 163.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.94 -33.56 76.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.49 -39.32 87.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -67.55 -40.97 84.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.574 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -63.77 -35.89 82.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.19 -43.78 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -61.6 -39.66 92.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.719 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.415 HG22 HD13 ' A' ' 16' ' ' ILE . 38.2 mm -65.47 -47.33 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.86 75.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.58 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.6 tttt -65.91 -41.37 91.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -65.14 -44.89 87.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 21' ' ' ILE . 96.9 mt -66.62 -46.52 85.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.578 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 76.0 p -76.02 8.48 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.618 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.578 ' HD1' ' C ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -123.74 15.35 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.93 81.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 17.6 Cg_endo -68.16 167.52 21.71 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.806 2.338 . . . . 0.0 112.054 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.552 ' O ' ' ND2' ' A' ' 170' ' ' ASN . 47.8 Cg_endo -70.91 116.16 4.56 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.755 2.303 . . . . 0.0 112.175 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.12 21.57 35.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.524 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 47.8 mp0 -149.34 37.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.803 0.335 . . . . 0.0 110.523 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 51.7 p90 -73.94 -48.86 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 42.0 t30 -57.05 -57.32 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.546 ' OE1' ' NE ' ' B' ' 315' ' ' ARG . 99.0 mt-10 -44.54 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.83 -42.48 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -59.24 -50.81 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.11 -37.89 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.1 -42.07 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.04 -41.88 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -56.32 -54.79 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.34 -34.76 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 mt -73.2 -49.72 26.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.75 -32.63 72.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.0 t30 46.61 49.69 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.6 m-20 -168.6 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -51.89 -37.88 54.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.615 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -54.14 -44.17 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.31 -30.87 54.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.74 -38.68 91.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.608 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -66.25 -35.47 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -41.06 -59.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.09 -56.83 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.607 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.54 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -54.29 -37.05 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.576 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.4 12.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.507 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.55 -56.62 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.56 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' ALA . 67.4 tp60 -33.61 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.567 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -60.02 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -46.97 -30.94 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.711 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -68.88 -66.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.711 ' N ' ' HG3' ' A' ' 59' ' ' MET . 53.9 t0 -67.94 10.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 1.3 tm0? -124.5 24.76 7.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.618 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 51.7 m-85 23.9 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.488 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.0 m -58.78 111.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -75.68 115.17 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.943 2.429 . . . . 0.0 112.212 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 66' ' ' LYS . 12.5 p -109.38 165.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 65' ' ' VAL . 13.0 ptpt -125.19 103.99 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 43.9 mt -51.56 148.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 78.1 tt0 -13.24 -78.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.37 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 67.1 m-85 -137.41 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 13.8 p-10 20.17 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 1.068 ' O ' ' N ' ' A' ' 74' ' ' VAL . 55.2 t0 -98.76 19.37 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 12.6 mm100 -0.24 50.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.068 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.8 p -63.98 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.542 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 42.5 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.511 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.04 105.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.57 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 4.9 p -130.12 -176.97 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.612 ' N ' ' SD ' ' A' ' 59' ' ' MET . 14.3 tm-20 -78.72 -31.33 46.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.629 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 144' ' ' TYR . 32.7 m-70 -63.89 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.67 50.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -85.45 100.02 11.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.6 -51.57 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -116.16 1.31 13.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.742 0.306 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.16 -15.76 9.35 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.629 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.67 9.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.555 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 54.0 m-85 -114.5 -170.61 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' OH ' ' A' ' 144' ' ' TYR . 80.3 mt -118.29 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.685 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 33.6 t0 -139.3 89.04 12.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.1 Cg_endo -61.03 -36.68 81.23 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.834 2.356 . . . . 0.0 112.005 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.69 HH22 ' NH2' ' A' ' 129' ' ' ARG . 64.8 mtp180 -59.49 -75.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -20.35 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.514 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.685 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 67.9 mttm 62.72 62.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.485 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 33.1 pt -146.48 154.46 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.814 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 2.1 t -92.71 133.0 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.727 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 31.1 p90 -140.08 136.67 33.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 105' ' ' ALA . 64.4 tttm -88.7 113.39 24.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.857 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 52.1 t80 -82.65 133.06 35.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.667 ' H ' ' HB1' ' A' ' 105' ' ' ALA . 5.0 m-20 -104.56 90.2 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.507 ' CB ' ' HB3' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -36.45 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.623 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' H ' ' ND1' ' A' ' 100' ' ' HIS . 45.5 tp -47.45 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.576 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.5 tpp180 -52.85 156.31 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -88.85 2.29 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 80.6 mm-40 -117.19 150.21 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.857 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.22 79.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 71.4 m -95.52 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.5 OUTLIER 73.7 54.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.542 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.814 ' CA ' ' O ' ' A' ' 95' ' ' SER . 59.1 Cg_endo -73.5 -177.82 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.866 2.377 . . . . 0.0 112.046 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.811 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.1 tt0 -160.11 124.57 2.11 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -47.16 130.99 17.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -122.88 102.49 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 51.2 p-10 -75.48 88.41 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.669 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 68.7 p -46.89 164.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 115' ' ' SER . 73.7 mm-40 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.444 ' H ' ' HD3' ' A' ' 118' ' ' LYS . 2.0 p 71.96 35.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.77 -59.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.659 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 59.9 tp -104.14 3.31 32.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.485 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -53.93 -41.93 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.521 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' LYS . 85.2 mt-30 -39.24 -55.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -62.57 -47.62 83.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.742 HH21 ' H ' ' A' ' 145' ' ' GLY . 23.8 ttm180 -53.88 -80.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.566 ' C ' ' O ' ' A' ' 121' ' ' ARG . 82.8 m-20 -25.41 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.5 t -51.11 -48.57 61.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.452 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.1 t0 -40.42 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.1 m -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.41 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.83 -12.27 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.69 ' NH2' HH22 ' A' ' 91' ' ' ARG . 22.1 tpt180 -66.33 -32.78 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.68 -39.22 24.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.473 ' OH ' ' OE1' ' A' ' 236' ' ' GLU . 45.8 t80 -54.76 -38.8 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 134' ' ' ASP . 4.7 p -74.74 -40.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 52.4 mmtt -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.532 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.2 m-20 -147.58 7.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.511 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.491 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.3 m80 -151.05 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.504 ' OH ' ' NE1' ' A' ' 173' ' ' TRP . 37.3 m-85 -114.68 106.45 52.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.441 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.767 2.312 . . . . 0.0 112.044 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -127.56 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.62 12.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -135.08 158.15 45.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.844 0.354 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.5 p -129.55 162.29 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . 0.413 ' HG1' ' C ' ' A' ' 141' ' ' CYS . 78.2 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.573 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 47.4 t -75.74 143.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' TYR . . . . . 0.502 ' CE2' ' HB2' ' A' ' 146' ' ' LYS . 11.1 t80 -120.24 124.28 45.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.742 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.73 84.51 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.575 ' CG ' ' N ' ' A' ' 147' ' ' SER . 55.0 tttm -123.79 167.33 14.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.358 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' A' ' 146' ' ' LYS . 72.5 m -107.57 115.44 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 20.9 mt -91.1 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 59.0 t0 46.61 54.23 9.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.73 4.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . 0.732 ' CG ' ' O ' ' A' ' 148' ' ' ILE . 10.1 pt20 -53.84 129.83 35.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLN . . . . . 1.036 ' O ' HG13 ' A' ' 181' ' ' ILE . 10.5 mt-30 -85.76 150.49 24.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.721 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 2.7 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.678 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 10.3 mm -108.52 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.427 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 144' ' ' TYR . 2.9 mt -98.11 117.08 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -114.9 116.03 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.1 m -106.04 135.43 47.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.77 137.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.199 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.6 tm-20 -131.39 151.92 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.991 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 2.0 p80 -140.7 170.55 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.982 0.42 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 93.9 mm-40 -148.56 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.238 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -65.41 147.5 53.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.001 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.467 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 0.4 OUTLIER -167.96 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.295 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . 0.683 ' C ' ' H ' ' A' ' 167' ' ' ASN . 23.8 Cg_exo -60.73 -52.04 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.736 2.291 . . . . 0.0 112.165 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . 0.683 ' H ' ' C ' ' A' ' 165' ' ' PRO . 58.2 t-20 -121.95 -10.43 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.83 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 50.3 m-85 70.07 80.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' TRP . . . . . 0.83 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.1 p-90 158.83 127.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.711 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 26' ' ' PRO . 1.6 p-10 -135.99 162.35 33.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.11 29.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . 0.693 HH11 ' NE ' ' A' ' 174' ' ' ARG . 9.2 ttm180 -165.68 136.61 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.383 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' TRP . . . . . 0.723 ' N ' ' O ' ' A' ' 160' ' ' SER . 7.1 t-105 -107.55 138.92 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.693 ' NE ' HH11 ' A' ' 172' ' ' ARG . 73.2 mtm180 -125.31 152.31 44.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.226 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.31 111.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.046 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.661 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 81.8 tt0 -116.36 124.73 50.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.128 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' TRP . . . . . 0.603 ' CE3' ' CB ' ' A' ' 190' ' ' ALA . 40.3 m95 -120.63 117.0 26.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.64 119.81 38.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.335 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' PHE . . . . . 0.721 ' O ' ' HA ' ' A' ' 153' ' ' THR . 19.5 m-85 -117.47 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.745 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 18.8 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . 1.036 HG13 ' O ' ' A' ' 152' ' ' GLN . 1.8 pp -164.34 151.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.637 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' THR . . . . . 0.921 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.47 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.433 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.988 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.2 Cg_exo -34.41 12.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.447 2.764 . . . . 0.0 112.68 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.921 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.1 Cg_endo -79.92 -4.26 13.25 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.834 2.356 . . . . 0.0 112.101 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' THR . . . . . 1.026 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.69 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.296 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 1.106 ' O ' ' O ' ' A' ' 216' ' ' VAL . . . 65.89 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.925 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' GLN . . . . . 1.046 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 27.5 mp0 -106.8 -114.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.776 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 2.2 t 145.64 173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.776 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.661 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.44 -167.52 2.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 2.0 p -165.78 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.5 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' LEU . . . . . 0.587 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 6.9 mp -85.55 157.84 20.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -150.35 147.77 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . 0.433 ' CD1' ' CZ3' ' A' ' 173' ' ' TRP . 23.9 mt -149.45 134.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.23 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -142.32 130.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.958 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.703 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.2 t -132.69 136.66 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.092 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' HIS . . . . . 0.763 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 11.1 t60 -126.56 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 51.0 t80 -145.55 87.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.607 ' CG ' ' O ' ' A' ' 199' ' ' TYR . 1.4 t80 -100.08 87.72 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' GLU . . . . . 1.066 ' O ' ' CG ' ' A' ' 201' ' ' ASP . 58.2 tt0 -129.41 52.18 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ASP . . . . . 1.066 ' CG ' ' O ' ' A' ' 200' ' ' GLU . 51.1 p30 114.82 2.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.393 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.66 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -172.82 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 129.16 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' GLN . . . . . 0.703 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 9.8 mt-30 -136.81 154.14 50.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 12.7 tp -122.27 87.17 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.02 122.21 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.419 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 7.2 p -149.61 147.22 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.747 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' HIS . . . . . 0.473 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 35.2 p80 -157.82 145.15 18.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.162 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -135.44 129.03 32.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -103.55 129.83 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.196 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.7 tt -127.15 154.83 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.947 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -150.13 102.58 3.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' ASP . . . . . 0.63 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 98.5 m-20 -118.81 166.06 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.747 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' SER . . . . . 1.046 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 33.5 p -117.75 103.36 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' VAL . . . . . 1.106 ' O ' ' O ' ' A' ' 186' ' ' ALA . 81.3 t -91.9 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . 1.026 ' HA ' ' O ' ' A' ' 185' ' ' THR . 77.9 mt-30 -102.63 128.06 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' VAL . . . . . 0.988 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 79.7 t -86.04 137.52 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.624 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 43.8 m -131.02 -98.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' SER . . . . . 0.661 ' HG ' ' H ' ' A' ' 221' ' ' ASP . 2.0 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' ASP . . . . . 0.661 ' H ' ' HG ' ' A' ' 220' ' ' SER . 65.6 t0 -86.87 -62.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.11 -24.69 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -73.94 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.481 HG21 ' O ' ' A' ' 221' ' ' ASP . 5.0 t -54.55 -36.97 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' ALA . . . . . 0.465 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.52 -57.09 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.11 -30.49 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.43 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.63 -38.75 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.448 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -67.74 -53.87 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.8 mm -52.13 -27.38 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.363 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -74.86 -36.73 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' ILE . . . . . . . . . . . . . 4.4 mm -67.5 -41.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.479 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' A' ' 177' ' ' TRP . 98.6 mt -70.11 -44.49 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -56.99 -47.03 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.62 -43.93 71.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.87 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.43 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' GLU . . . . . 0.473 ' OE1' ' OH ' ' A' ' 131' ' ' TYR . 12.8 tt0 -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 237' ' ' ASN . . . . . 0.495 ' HA ' HH22 ' B' ' 544' ' ' ARG . 93.4 m-20 -60.05 -40.21 88.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.418 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.78 -34.38 73.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.44 -44.44 74.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 240' ' ' GLN . . . . . 0.447 ' CB ' ' NH2' ' B' ' 544' ' ' ARG . 50.7 tp60 -68.15 -38.95 82.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 83.8 m -61.45 -45.74 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.49 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 243' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 243' ' ' ILE . 52.8 mt -69.18 -47.51 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.69 -34.22 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -42.89 84.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.15 -34.61 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 247' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.92 -31.89 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.21 -50.91 19.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 249' ' ' THR . . . . . 0.539 ' O ' ' HB ' ' A' ' 253' ' ' THR . 42.8 p -64.77 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 50.3 mtt -72.9 -14.49 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' SER . . . . . 0.443 ' O ' ' NZ ' ' A' ' 256' ' ' LYS . 3.2 p -113.01 -10.09 13.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 93.8 m-20 -132.12 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.8 m 175.72 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 254' ' ' THR . . . . . 0.465 ' O ' ' HB1' ' A' ' 257' ' ' ALA . 7.0 m -53.52 -61.24 2.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -47.68 -57.49 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 256' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 251' ' ' SER . 64.6 mttp -64.27 -11.74 34.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.21 30.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 259' ' ' ARG . . . . . 0.776 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 15.6 ttp180 -98.64 174.48 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 260' ' ' ARG . . . . . 0.776 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 0.0 OUTLIER -109.17 153.18 24.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.73 -11.2 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 262' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 262' ' ' LEU . 0.3 OUTLIER -163.67 133.28 3.1 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 263' ' ' PRO . . . . . 0.732 ' HG3' ' CZ ' ' B' ' 411' ' ' TYR . 34.3 Cg_exo -43.96 135.39 7.86 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.892 2.395 . . . . 0.0 112.087 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 264' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 263' ' ' PRO . 21.6 t -37.76 -38.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 89.2 m -64.15 -5.46 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.9 ttm180 54.17 55.57 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 267' ' ' THR . . . . . 0.627 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.25 114.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.405 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 268' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 267' ' ' THR . 24.6 mtmm -16.76 131.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.626 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 269' ' ' ILE . . . . . 0.447 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 7.5 tt -50.23 158.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 270' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 273' ' ' LYS . 10.6 t70 -117.12 58.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 271' ' ' TRP . . . . . 0.593 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.37 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 272' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 270' ' ' ASP . 44.1 t30 -44.55 -25.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 273' ' ' LYS . . . . . 1.224 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 19.0 pttt -99.93 -7.71 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.661 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 274' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' A' ' 271' ' ' TRP . 1.3 tp -103.19 -1.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 275' ' ' LEU . . . . . 0.728 ' O ' ' CB ' ' A' ' 276' ' ' SER . 77.0 mt -111.09 44.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 276' ' ' SER . . . . . 1.309 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.4 m 141.94 -38.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 277' ' ' TYR . . . . . 1.224 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.7 t80 -31.01 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 278' ' ' LYS . . . . . 1.309 ' N ' ' O ' ' A' ' 276' ' ' SER . 99.4 mttt -107.67 80.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.2 pt 54.21 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.64 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.528 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 302' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 16.1 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -42.8 -51.22 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.36 -34.12 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 305' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' B' ' 302' ' ' SER . 24.0 mt-30 -60.77 -49.03 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.2 -40.67 77.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.411 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.92 -40.8 95.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 94.0 m -68.14 -37.21 80.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.362 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 309' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.15 96.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.357 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.36 -38.35 84.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -68.31 -33.71 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.79 -43.73 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 79.1 mmm -64.37 -25.61 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 314' ' ' ARG . . . . . 0.588 ' NH2' ' OH ' ' A' ' 199' ' ' TYR . 3.9 mtp180 -82.28 -12.34 58.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.42 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 315' ' ' ARG . . . . . 0.546 ' NE ' ' OE1' ' A' ' 31' ' ' GLU . 27.6 mmt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.67 147.74 95.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 317' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' B' ' 318' ' ' PRO . 50.8 Cg_exo -49.63 128.38 20.93 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.808 2.338 . . . . 0.0 112.047 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 318' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' B' ' 317' ' ' PRO . 6.8 Cg_exo -71.43 -4.05 14.21 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.878 2.385 . . . . 0.0 112.041 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -80.61 -17.76 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -123.92 39.42 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 321' ' ' ILE . . . . . 0.521 HD12 HG21 ' B' ' 321' ' ' ILE . 35.6 mm -63.4 -40.79 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.74 -60.85 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.38 42.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -54.71 -55.77 26.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.439 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' B' ' 345' ' ' GLN . 42.8 tp -47.14 -48.92 23.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.5 t -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.424 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -62.39 -40.76 97.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' LEU . . . . . . . . . . . . . 62.4 tp -55.51 -41.08 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.47 -41.11 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -57.81 -37.96 74.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.42 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 11.1 mt -71.25 -29.11 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.57 84.63 9.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -68.08 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.76 2.307 . . . . 0.0 112.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.0 m -89.31 -6.5 56.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 79.1 mt -119.04 20.92 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 27.1 p -64.15 -55.83 19.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' GLU . . . . . 0.584 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 81.0 tt0 -60.39 -50.36 73.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.76 -36.14 73.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' LEU . . . . . 0.478 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.1 mt -79.09 -28.62 43.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 44.2 mt -81.49 12.4 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.8 p -144.09 -3.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.6 t -119.33 -15.49 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.87 120.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.466 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.87 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' GLN . . . . . 0.418 ' OE1' ' CD2' ' B' ' 325' ' ' LEU . 0.0 OUTLIER -129.35 165.92 29.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.481 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.41 125.27 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.849 2.366 . . . . 0.0 112.095 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.7 122.44 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.663 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -88.59 148.77 23.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.455 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.3 tt -102.98 136.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.74 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' ALA . . . . . 0.728 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.67 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.481 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -114.34 143.34 45.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.605 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.962 ' O ' ' N ' ' B' ' 356' ' ' GLY . 40.6 t0 -111.92 81.44 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.456 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.9 mttt -37.24 -62.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 97.3 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.94 -25.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . 0.962 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.69 70.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' B' ' 352' ' ' ASP . 98.4 mttt -115.14 154.93 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' ASP . . . . . 0.728 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.0 m-20 -94.75 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' TYR . . . . . 0.682 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.7 p90 -139.66 135.78 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.22 156.64 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.6 mt -108.54 158.56 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.615 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 362' ' ' CYS . . . . . 0.463 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 20.2 p -168.19 168.65 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 7.7 p-10 -75.5 -10.25 59.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.4 -18.24 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 365' ' ' ASN . . . . . 0.463 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 53.3 p30 -123.16 24.73 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -119.94 129.81 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.511 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -122.18 99.48 6.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.09 -98.67 1.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.34 8.67 7.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 370' ' ' SER . . . . . 0.979 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 4.5 m -122.33 161.32 23.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 371' ' ' TYR . . . . . 1.112 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.4 OUTLIER -118.29 150.84 38.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.499 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 372' ' ' ARG . . . . . 0.406 ' NH1' ' OH ' ' B' ' 420' ' ' TYR . 17.5 mtt180 -98.78 124.73 43.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 373' ' ' SER . . . . . 0.71 ' HG ' ' H ' ' B' ' 378' ' ' LYS . 96.1 p -79.66 133.77 58.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.91 -14.71 19.13 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.788 2.326 . . . . 0.0 112.227 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -85.89 -66.31 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 80.1 p -83.05 -18.62 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.663 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 377' ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' B' ' 373' ' ' SER . 10.7 m-80 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 378' ' ' LYS . . . . . 0.71 ' H ' ' HG ' ' B' ' 373' ' ' SER . 65.6 mmtt -141.55 137.89 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 379' ' ' TYR . . . . . 1.112 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.76 140.4 58.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 380' ' ' ASP . . . . . 0.757 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.91 -60.48 6.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.328 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 381' ' ' PRO . . . . . 0.979 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.45 120.0 7.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.022 2.481 . . . . 0.0 112.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -41.53 79.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.96 2.44 . . . . 0.0 112.317 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.688 ' CD2' ' H ' ' B' ' 384' ' ' GLU . 0.4 OUTLIER -84.51 177.52 8.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . 0.688 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -117.0 66.03 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 386' ' ' GLY . . . . . 0.838 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.2 151.71 47.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -64.03 127.32 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.579 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -132.25 148.59 70.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.97 150.75 49.36 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.779 2.319 . . . . 0.0 112.172 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.4 m -52.67 142.87 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.54 -43.79 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.546 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -67.93 -37.77 82.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.84 -42.46 70.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.391 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -55.32 -36.79 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.51 -46.63 85.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.32 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.37 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -67.77 -38.01 82.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.09 -40.27 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.38 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.76 -36.95 78.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.321 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.89 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -63.97 -38.94 92.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.22 -40.32 67.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.01 78.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 404' ' ' PHE . . . . . 0.422 ' CZ ' ' CD1' ' B' ' 432' ' ' ILE . 17.1 m-85 -69.33 -29.22 67.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 405' ' ' ASP . . . . . 0.452 ' OD2' ' NH2' ' B' ' 408' ' ' ARG . 12.1 t70 -54.58 -38.91 67.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -77.01 -32.93 57.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 407' ' ' TYR . . . . . 0.511 ' O ' ' CD1' ' B' ' 411' ' ' TYR . 34.8 t80 -69.73 -18.61 63.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 408' ' ' ARG . . . . . 0.564 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.82 -35.48 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -85.16 -8.98 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.602 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 410' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 41.1 mt -95.83 -17.95 20.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 411' ' ' TYR . . . . . 0.732 ' CZ ' ' HG3' ' A' ' 263' ' ' PRO . 2.2 m-85 -118.81 -38.12 3.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 412' ' ' PHE . . . . . 0.568 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 5.5 m-85 -100.55 -25.93 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 413' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 80.3 mt-10 63.44 24.38 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.72 -154.45 25.41 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.44 -163.51 52.91 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 58.8 t -128.66 153.72 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 110.462 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 417' ' ' SER . . . . . 0.564 ' N ' HH12 ' B' ' 408' ' ' ARG . 36.3 t -143.6 148.52 36.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.683 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 43.9 t -148.2 143.97 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.88 130.26 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.767 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 420' ' ' TYR . . . . . 0.523 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 12.7 t80 -128.48 132.46 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.334 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.66 158.41 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.737 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -154.48 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -42.99 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.621 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 424' ' ' LEU . . . . . 0.499 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.1 tp -127.87 -147.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.563 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 425' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 426' ' ' HIS . 0.9 OUTLIER -87.33 -49.81 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 426' ' ' HIS . . . . . 0.532 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 98.9 m-70 -129.8 30.72 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.67 2.57 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.67 154.13 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -123.99 172.84 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 430' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.7 35.05 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 431' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 4.3 p -130.05 126.39 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 432' ' ' ILE . . . . . 0.574 ' O ' ' ND1' ' B' ' 452' ' ' HIS . 14.8 mt -103.35 113.59 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 433' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' B' ' 450' ' ' SER . 24.5 mt -102.81 143.11 32.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 434' ' ' ILE . . . . . 0.506 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 14.5 mt -148.64 119.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.639 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -122.56 127.54 49.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 436' ' ' LYS . . . . . 0.568 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.17 119.61 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.14 40.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.607 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.49 45.13 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -50.74 128.04 19.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.58 9.75 75.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 98.8 p -110.39 -4.24 15.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 110.58 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.18 153.89 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -56.97 -43.75 81.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.627 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 444' ' ' ILE . . . . . 0.752 ' H ' ' CD1' ' B' ' 444' ' ' ILE . 0.1 OUTLIER -95.13 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -105.81 154.69 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.344 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.46 24.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 31.0 m -149.49 130.6 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.214 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 448' ' ' TRP . . . . . 0.55 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.2 t-105 -114.78 116.26 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 449' ' ' ASP . . . . . 0.426 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.2 m-20 -109.5 127.19 54.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 450' ' ' SER . . . . . 0.506 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 1.3 m -115.9 122.76 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 451' ' ' ILE . . . . . 0.401 HD12 HG21 ' B' ' 451' ' ' ILE . 90.9 mt -127.96 100.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.217 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 452' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' B' ' 432' ' ' ILE . 2.4 m80 -108.63 132.42 53.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.73 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 5.8 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -131.8 102.16 5.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.328 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 77.1 t -79.06 139.6 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.795 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -123.5 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 458' ' ' GLU . . . . . 0.513 ' CD ' ' N ' ' B' ' 459' ' ' LYS . 8.0 tm-20 -40.32 146.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 459' ' ' LYS . . . . . 0.592 ' CG ' ' O ' ' B' ' 464' ' ' THR . 34.0 mmtm -109.36 141.97 40.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.94 -54.17 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 36.1 p -126.71 146.56 50.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 462' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.75 48.17 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 463' ' ' ARG . . . . . 0.485 HH11 ' HG3' ' B' ' 463' ' ' ARG . 24.3 mmm-85 59.15 -0.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.23 123.59 29.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.445 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 465' ' ' ALA . . . . . . . . . . . . . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -92.93 126.6 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 467' ' ' TYR . . . . . 0.471 ' HH ' ' HD1' ' B' ' 509' ' ' HIS . 84.3 m-85 -103.18 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -135.8 86.11 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.173 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.21 157.6 23.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.996 0.427 . . . . 0.0 111.09 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 470' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' B' ' 470' ' ' THR . 14.7 t -157.89 62.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.05 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 471' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 95.2 p -64.65 174.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.127 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 472' ' ' THR . . . . . 0.428 ' CG2' ' HG1' ' B' ' 494' ' ' THR . 56.0 m -168.79 87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.151 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 473' ' ' VAL . . . . . 0.554 ' O ' ' OG ' ' B' ' 492' ' ' SER . 97.5 t -69.72 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 474' ' ' MET . . . . . 0.558 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.3 ttt -124.79 96.04 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.136 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.7 131.21 34.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.31 130.28 51.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.223 179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.4 mt -137.38 124.73 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 110.725 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 478' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' B' ' 479' ' ' THR . 52.5 tt0 -138.24 158.13 44.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 479' ' ' THR . . . . . 0.401 ' N ' ' CG ' ' B' ' 478' ' ' GLN . 1.9 t -163.44 127.51 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 480' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 98.8 m-20 -108.2 73.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 481' ' ' LYS . . . . . 0.874 ' O ' ' N ' ' B' ' 485' ' ' GLY . 66.4 tttm -107.61 146.6 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 482' ' ' THR . . . . . 0.475 ' HG1' ' N ' ' B' ' 483' ' ' GLY . 62.2 p -57.26 -45.96 83.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 483' ' ' GLY . . . . . 0.475 ' N ' ' HG1' ' B' ' 482' ' ' THR . . . -63.66 -25.24 68.74 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 484' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.2 p -125.93 14.86 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 485' ' ' GLY . . . . . 0.874 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 486' ' ' THR . . . . . 0.473 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 18.5 p -126.06 114.0 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.479 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 487' ' ' MET . . . . . 0.558 ' C ' HD21 ' B' ' 488' ' ' ASN . 11.6 ttp -125.11 118.03 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 488' ' ' ASN . . . . . 0.558 HD21 ' C ' ' B' ' 487' ' ' MET . 1.1 m-80 -118.98 123.93 45.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 489' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 17.9 tp -131.61 76.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.47 -163.85 21.74 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 491' ' ' GLY . . . . . 0.554 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.65 11.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 492' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' B' ' 474' ' ' MET . 27.0 t 163.24 135.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.478 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 493' ' ' LEU . . . . . 0.619 HD13 ' H ' ' B' ' 494' ' ' THR . 0.2 OUTLIER -110.59 149.43 30.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 494' ' ' THR . . . . . 0.619 ' H ' HD13 ' B' ' 493' ' ' LEU . 55.5 m -127.09 142.86 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.517 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -149.95 128.75 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -92.87 160.58 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 3.1 tpp -160.02 130.46 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 498' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 498' ' ' GLU . 4.0 mp0 -133.49 141.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -172.26 145.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 500' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.4 p-10 -91.23 125.21 35.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 501' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.7 tt0 -120.67 160.19 23.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 76.1 p -94.24 131.8 39.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.6 122.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.94 -35.89 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.2 p -83.6 -19.89 34.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.6 t -135.43 73.4 63.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.614 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.58 -172.54 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.742 2.295 . . . . 0.0 112.176 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 509' ' ' HIS . . . . . 0.471 ' HD1' ' HH ' ' B' ' 467' ' ' TYR . 96.6 m-70 -58.79 -62.73 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.474 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 67.4 mt -42.69 -49.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.29 71.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 512' ' ' ASN . . . . . 0.432 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 46.6 m-20 -62.96 -48.1 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 67.6 mt -61.07 -33.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 514' ' ' GLY . . . . . 0.505 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.77 -46.53 74.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -57.35 -44.36 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.15 -52.51 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.598 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.48 -47.24 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -57.89 -51.66 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.81 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 519' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.4 t0 -63.55 -37.5 87.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.733 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.39 -49.37 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.759 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.62 -45.23 93.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 522' ' ' ASN . . . . . 0.537 HD21 HH12 ' A' ' 259' ' ' ARG . 2.8 m120 -56.96 -41.43 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -70.61 -38.46 73.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.35 -24.41 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 525' ' ' ARG . . . . . 0.63 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.73 -27.64 66.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.661 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 526' ' ' SER . . . . . 0.55 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 69.2 p -85.04 -38.74 18.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.3 m -66.04 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.649 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 528' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 66.1 mt -64.95 -42.38 94.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.692 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.5 -31.33 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 530' ' ' GLU . . . . . 0.975 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.4 mt-10 -74.32 -54.44 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 531' ' ' ILE . . . . . 0.418 HG22 HD11 ' B' ' 531' ' ' ILE . 83.5 mt -64.47 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 532' ' ' TYR . . . . . 0.687 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 18.0 m-85 -50.23 -86.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 533' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.59 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 534' ' ' GLY . . . . . 0.975 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.14 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 64.8 mttp -56.94 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 536' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.6 p -34.78 -58.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 537' ' ' LYS . . . . . 0.486 ' HZ1' HD22 ' B' ' 541' ' ' ASN . 66.0 tttm -50.31 -53.29 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.19 -44.94 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 539' ' ' ILE . . . . . . . . . . . . . 36.6 mm -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.46 -41.95 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 541' ' ' ASN . . . . . 0.486 HD22 ' HZ1' ' B' ' 537' ' ' LYS . 74.2 m-20 -69.76 -17.14 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.49 -27.37 47.98 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 543' ' ' LEU . . . . . 0.441 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.9 mt -68.11 -51.41 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 544' ' ' ARG . . . . . 0.726 ' HG2' ' H ' ' B' ' 545' ' ' SER . 9.1 ttp180 -141.81 170.09 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 545' ' ' SER . . . . . 0.726 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.4 t -142.22 137.82 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -43.5 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.83 138.62 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 548' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.49 122.11 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.536 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 549' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' B' ' 551' ' ' ASP . 77.8 mt -79.52 112.72 31.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 550' ' ' PRO . . . . . 0.569 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.4 Cg_exo -46.54 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.862 2.375 . . . . 0.0 112.121 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 551' ' ' ASP . . . . . 0.569 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.6 p-10 -25.24 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 552' ' ' ASN . . . . . 0.546 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 45.3 p-10 -129.88 116.11 18.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.57 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 553' ' ' GLN . . . . . 0.589 ' CD ' ' H ' ' B' ' 553' ' ' GLN . 1.4 pm0 -85.21 -24.8 27.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 554' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' B' ' 558' ' ' LEU . 50.5 mtmt -52.55 -64.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 555' ' ' TYR . . . . . 0.546 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.1 m-85 -45.19 -56.71 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -57.53 -46.92 83.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -65.83 -29.71 70.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.805 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 558' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 554' ' ' LYS . 60.9 tp -77.74 -30.36 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.54 -36.4 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -58.22 -40.54 81.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 561' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.81 -61.82 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.648 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 562' ' ' LEU . . . . . 0.878 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 1.1 tt -49.02 -40.77 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.649 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.4 m -61.19 -76.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.683 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -36.64 -13.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.688 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 565' ' ' VAL . . . . . 0.878 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 15.5 t -72.09 -42.74 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 566' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 563' ' ' SER . 76.4 mt -81.4 -35.62 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.0 p -70.28 -19.54 63.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -117.59 6.69 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.1 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 570' ' ' GLN . . . . . 0.793 ' O ' ' CB ' ' B' ' 571' ' ' ILE . 40.3 tt0 139.8 128.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 571' ' ' ILE . . . . . 0.793 ' CB ' ' O ' ' B' ' 570' ' ' GLN . 14.0 tt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 601' ' ' MET . . . . . 0.498 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.18 5.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 603' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' C' ' 601' ' ' MET . 98.5 m-20 -49.77 -37.85 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 604' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' C' ' 608' ' ' TRP . 88.8 tttt -69.68 -52.18 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -55.11 -28.92 56.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.68 -53.68 8.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 607' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 2.7 ptt? -72.75 -36.82 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 608' ' ' TRP . . . . . 0.448 ' N ' ' O ' ' C' ' 604' ' ' LYS . 76.1 t-105 -56.79 -15.99 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 609' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.45 -50.68 13.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 610' ' ' LEU . . . . . 0.613 HD11 ' H ' ' C' ' 610' ' ' LEU . 3.5 mp -66.28 2.06 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 611' ' ' LYS . . . . . 0.447 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.5 tttm -102.09 -66.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -70.38 -4.26 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 613' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.05 21.81 58.47 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 7.2 m-20 -63.86 49.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 615' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' C' ' 613' ' ' GLY . 3.0 tm? -44.97 -17.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.77 -27.53 50.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 617' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' C' ' 614' ' ' ASP . 55.3 tp10 -81.49 -49.86 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.598 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -28.37 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.563 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 619' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -66.26 -21.86 66.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.511 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 620' ' ' ASP . . . . . 0.561 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 65.1 t0 -75.32 -45.42 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.96 -59.14 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 11.1 m -57.74 -27.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 623' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' C' ' 620' ' ' ASP . . . -56.68 -16.81 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 625' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.92 82.39 0.1 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 626' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.1 pt-20 34.27 95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 627' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 48.3 p-10 -140.98 62.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.602 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 628' ' ' VAL . . . . . 0.644 HG13 ' O ' ' C' ' 654' ' ' LEU . 35.5 t -121.98 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -173.02 5.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 630' ' ' ARG . . . . . 0.455 ' HG3' ' H ' ' C' ' 631' ' ' THR . 5.8 tpt180 -79.01 166.87 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.1 87.68 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.6 tp -31.29 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 633' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' C' ' 634' ' ' GLY . 12.0 tm-20 -71.69 -76.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 634' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' C' ' 633' ' ' GLU . . . -153.7 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 635' ' ' GLY . . . . . 0.497 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.43 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 636' ' ' ARG . . . . . 0.683 HH21 ' CD2' ' C' ' 640' ' ' HIS . 68.1 mtp180 -127.97 164.88 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.505 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 637' ' ' LYS . . . . . 0.504 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 638' ' ' PRO . . . . . 0.478 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.4 Cg_endo -73.66 25.0 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.871 2.381 . . . . 0.0 112.083 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 639' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.3 mp -117.7 -16.29 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 640' ' ' HIS . . . . . 0.683 ' CD2' HH21 ' C' ' 636' ' ' ARG . 18.9 t60 -75.24 -43.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.73 -35.95 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -45.0 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.609 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 644' ' ' ASP . . . . . 0.507 ' O ' ' SG ' ' C' ' 645' ' ' CYS . 33.3 m-20 -60.59 -35.68 76.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 645' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 20.1 m -160.89 65.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.1 4.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 647' ' ' GLN . . . . . 0.583 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 42.9 tt0 51.74 4.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.569 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 648' ' ' LEU . . . . . 0.847 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.58 7.06 5.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -115.78 -12.64 11.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 650' ' ' ILE . . . . . 0.408 ' O ' HD12 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -87.53 -36.15 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 651' ' ' LEU . . . . . 1.055 HD21 ' H ' ' C' ' 652' ' ' GLU . 0.0 OUTLIER -62.29 -52.92 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.615 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 652' ' ' GLU . . . . . 1.055 ' H ' HD21 ' C' ' 651' ' ' LEU . 82.6 tt0 -56.2 -22.57 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.1 m-85 -75.85 -97.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 654' ' ' LEU . . . . . 0.644 ' O ' HG13 ' C' ' 628' ' ' VAL . 1.9 mp -41.32 6.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.0 tt -102.93 -47.85 4.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.26 -25.38 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 657' ' ' LYS . . . . . 0.404 ' HB3' ' H ' ' C' ' 658' ' ' GLY . 0.0 OUTLIER -72.83 -90.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.518 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 658' ' ' GLY . . . . . 0.404 ' H ' ' HB3' ' C' ' 657' ' ' LYS . . . -65.35 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 659' ' ' ALA . . . . . 0.747 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.08 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 660' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' C' ' 662' ' ' ASN . 87.6 m-20 -57.42 10.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 661' ' ' ILE . . . . . 0.747 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.9 tp -66.09 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 662' ' ' ASN . . . . . 1.056 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.1 p30 -163.7 -18.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 663' ' ' ALA . . . . . 0.775 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.1 -33.68 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 664' ' ' PRO . . . . . 1.056 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 84.6 Cg_exo -46.94 120.79 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.882 2.388 . . . . 0.0 112.123 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 665' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.5 p-10 -125.9 -50.44 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -78.79 -16.16 57.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 667' ' ' HIS . . . . . 0.5 ' CG ' ' HZ1' ' C' ' 637' ' ' LYS . 35.5 m80 -80.44 -6.31 57.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 40.53 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.644 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 17.1 tt -176.89 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.23 168.7 10.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 671' ' ' PRO . . . . . 0.539 ' O ' ' OG ' ' C' ' 674' ' ' SER . 55.0 Cg_endo -72.46 -30.53 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.85 2.367 . . . . 0.0 112.118 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 1.1 tp -45.35 -49.06 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 673' ' ' LEU . . . . . 0.631 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.83 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 674' ' ' SER . . . . . 0.626 ' HG ' ' N ' ' C' ' 675' ' ' ALA . 20.5 p -51.78 -40.89 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 675' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.55 -30.02 61.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 676' ' ' VAL . . . . . 0.631 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 7.9 t -47.13 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -77.84 39.34 0.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 678' ' ' GLU . . . . . 0.646 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 37.6 mm-40 -124.5 -28.68 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.24 -11.29 72.48 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 680' ' ' HIS . . . . . 0.915 ' C ' ' H ' ' C' ' 682' ' ' SER . 48.3 m80 -71.99 -53.48 12.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 681' ' ' VAL . . . . . 0.429 HG23 ' O ' ' C' ' 680' ' ' HIS . 1.2 m 43.24 -4.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 682' ' ' SER . . . . . 0.915 ' H ' ' C ' ' C' ' 680' ' ' HIS . 0.3 OUTLIER -67.45 -24.26 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.95 -48.73 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 684' ' ' VAL . . . . . . . . . . . . . 59.0 t -41.86 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 685' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' C' ' 687' ' ' LEU . 88.8 tttt -62.59 -73.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.99 1.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 687' ' ' LEU . . . . . 0.519 ' H ' ' C ' ' C' ' 685' ' ' LYS . 3.4 mt -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 1.1 mp -45.64 -21.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.5 m -55.76 -21.54 19.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -99.61 -6.27 27.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 691' ' ' GLY . . . . . 1.078 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.93 0.42 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 692' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.26 18.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.315 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 693' ' ' ASP . . . . . 1.078 ' N ' ' O ' ' C' ' 691' ' ' GLY . 9.7 p-10 33.09 -128.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 694' ' ' LYS . . . . . 0.557 ' H ' ' CG ' ' C' ' 693' ' ' ASP . 26.1 pttm -152.5 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.552 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 695' ' ' THR . . . . . 0.525 ' N ' ' OD2' ' C' ' 693' ' ' ASP . 3.7 m -156.58 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 696' ' ' VAL . . . . . 0.409 ' CG2' ' OD1' ' C' ' 693' ' ' ASP . 0.0 OUTLIER -93.52 -29.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -140.21 23.57 2.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.78 20.33 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 699' ' ' PRO . . . . . 0.637 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 78.1 Cg_exo -44.73 -27.76 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 700' ' ' ASP . . . . . 0.637 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.0 t70 157.66 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 701' ' ' GLY . . . . . 0.573 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.81 0.38 89.15 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 702' ' ' LEU . . . . . 0.644 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.4 tt -53.83 -66.67 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.632 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 703' ' ' THR . . . . . 0.644 ' C ' ' O ' ' C' ' 702' ' ' LEU . 11.8 p 16.19 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 704' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' C' ' 707' ' ' ALA . . . -106.61 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 705' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.5 tp -62.82 -75.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.75 15.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' C' ' 703' ' ' THR . . . -83.45 -70.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 708' ' ' THR . . . . . 0.545 ' HG1' ' N ' ' C' ' 709' ' ' ASP . 29.4 p -139.78 -142.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 709' ' ' ASP . . . . . 0.545 ' N ' ' HG1' ' C' ' 708' ' ' THR . 53.0 p-10 -148.79 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -72.59 151.86 42.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -71.53 -20.53 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.14 -60.44 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 35.5 mm -69.99 -37.65 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.05 -29.96 23.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 716' ' ' LEU . . . . . 1.086 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.06 98.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 717' ' ' LEU . . . . . 1.086 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.3 mm? 124.1 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 718' ' ' GLN . . . . . 0.516 ' OXT' ' NE2' ' C' ' 718' ' ' GLN . 37.3 tp60 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.621 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.1 m -54.15 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 m -45.94 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 45.2 p-10 -64.93 -33.58 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 81.8 tt0 -60.48 -39.3 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.541 ' O ' HG12 ' A' ' 16' ' ' ILE . 95.9 mt-10 -67.56 -40.99 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -63.73 -35.87 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 10' ' ' ASP . 61.0 t -65.3 -43.7 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.409 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.6 mtm180 -61.59 -39.71 92.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 12' ' ' GLU . 50.8 mm -65.46 -47.36 87.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.497 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.97 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.68 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 31.4 ttpt -65.86 -41.33 91.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.2 -44.84 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -46.49 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -75.96 8.44 3.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.71 15.3 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.48 146.98 81.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.476 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 13.2 Cg_exo -68.21 167.52 21.8 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.815 2.343 . . . . 0.0 112.025 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -70.93 116.18 4.57 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.733 2.288 . . . . 0.0 112.16 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.52 35.28 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' B' ' 315' ' ' ARG . 94.8 mt-10 -149.29 37.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -73.83 -48.87 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -57.03 -57.4 12.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -44.52 -54.44 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 36' ' ' VAL . 53.2 t -60.76 -42.51 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.626 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.21 -50.91 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.02 -37.93 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.08 -42.06 97.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 32' ' ' VAL . 92.8 t -67.07 -41.82 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.599 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -56.39 -54.76 41.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD1' ' SG ' ' B' ' 308' ' ' CYS . 64.2 mt -59.31 -34.82 72.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.2 -49.74 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.43 HD12 HD22 ' B' ' 331' ' ' LEU . 13.6 tp -61.73 -32.62 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.53 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.1 t30 46.64 49.69 13.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 59.8 m-20 -168.65 79.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.85 -37.97 54.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -54.13 -44.2 71.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.0 mp -77.3 -30.83 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.695 ' O ' HD23 ' A' ' 46' ' ' LEU . 1.3 tt -62.81 -38.6 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.23 -35.54 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -40.97 -59.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.9 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.14 -56.76 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.835 0.35 . . . . 0.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.53 87.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -54.35 -36.94 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.44 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.59 -56.53 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.568 ' O ' ' SD ' ' A' ' 59' ' ' MET . . . -52.72 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.562 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 92.5 mm-40 -33.65 -45.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.11 -72.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.96 -30.93 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.629 ' SD ' ' N ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -68.87 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.83 10.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.822 HE22 HH22 ' A' ' 174' ' ' ARG . 59.5 mm-40 -124.58 24.8 7.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.59 ' C ' ' O ' ' A' ' 61' ' ' GLN . 79.5 m-85 23.87 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 31.4 m -58.82 111.36 3.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.8 Cg_exo -75.71 115.23 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.884 2.39 . . . . 0.0 112.211 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.647 HG22 ' N ' ' A' ' 66' ' ' LYS . 7.1 p -109.4 165.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.647 ' N ' HG22 ' A' ' 65' ' ' VAL . 64.9 mttp -125.16 103.97 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.0 mp -51.57 148.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.9 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.519 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.44 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.801 ' O ' ' N ' ' A' ' 72' ' ' ASP . 65.4 m-85 -137.43 14.73 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.618 ' C ' ' O ' ' A' ' 70' ' ' TYR . 34.6 p30 20.23 39.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 1.058 ' O ' ' N ' ' A' ' 74' ' ' VAL . 40.7 t0 -98.73 19.44 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.2 mp0 -0.26 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.058 ' N ' ' O ' ' A' ' 72' ' ' ASP . 11.4 p -63.87 173.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 74' ' ' VAL . 9.9 mp -113.39 152.34 30.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 87' ' ' PHE . 81.5 mt -104.08 105.45 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.764 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 3.0 p -130.11 -176.95 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -31.32 46.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.471 ' CD2' HG21 ' A' ' 155' ' ' ILE . 73.6 m-70 -63.97 -23.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.66 50.56 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.416 ' HA ' ' CD1' ' A' ' 87' ' ' PHE . 67.4 t0 -85.49 100.02 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -49.68 -51.48 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.7 25.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -116.14 1.31 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' CE1' ' A' ' 98' ' ' PHE . . . 121.13 -15.75 9.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -108.37 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.764 ' CE2' ' O ' ' A' ' 77' ' ' THR . 1.4 m-85 -114.48 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 tp -118.3 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.701 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 9.9 t70 -139.33 89.02 12.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.358 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -61.05 -36.67 81.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.826 2.351 . . . . 0.0 112.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HE ' ' NH2' ' A' ' 129' ' ' ARG . 0.5 OUTLIER -59.46 -75.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -76.54 -20.27 57.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 49.1 mttt 62.71 62.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.553 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 6.1 mt -146.45 154.44 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.827 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.8 t -92.72 133.04 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 49.6 p90 -140.11 136.68 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 66.0 tttm -88.7 113.45 24.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.868 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 45.1 p90 -82.7 133.03 35.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.529 ' O ' ' O ' ' A' ' 102' ' ' ARG . 27.0 t0 -104.51 90.11 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.39 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.6 tp -47.49 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 99' ' ' ASP . 99.1 mtt180 -52.84 156.29 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.534 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -88.87 2.36 53.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -117.28 150.25 39.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.575 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.868 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 64.5 m -95.55 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t70 73.79 54.42 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.827 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.47 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.813 2.342 . . . . 0.0 112.065 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.808 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.9 OUTLIER -160.12 124.55 2.1 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.21 131.0 17.57 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.82 2.347 . . . . 0.0 112.028 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -122.84 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.4 p-10 -75.5 88.43 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.45 ' OG1' ' CE ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -46.89 164.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -76.13 -30.0 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.84 35.67 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.79 -59.92 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.14 3.37 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.527 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.45 ' CE ' ' OG1' ' A' ' 113' ' ' THR . 5.3 mptt -54.04 -41.88 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -39.17 -56.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -62.49 -47.6 83.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.556 ' O ' ' C ' ' A' ' 122' ' ' ASP . 8.4 tmm_? -53.91 -80.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.6 t0 -25.42 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.536 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.7 t -51.12 -48.56 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.445 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 63.6 t0 -40.36 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 80.1 p -48.01 -46.15 32.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.478 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.49 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.79 -12.18 60.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.531 ' NH2' ' HE ' ' A' ' 91' ' ' ARG . 38.6 ttm180 -66.44 -32.74 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.646 ' HA ' ' HG2' ' A' ' 133' ' ' LYS . . . -81.67 -39.28 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.453 ' HB2' ' CG2' ' A' ' 229' ' ' ILE . 57.0 t80 -54.73 -38.81 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 134' ' ' ASP . 6.6 p -74.77 -40.52 46.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.496 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.646 ' HG2' ' HA ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -76.08 25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 72.0 m-20 -147.52 7.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 92.7 m-70 -151.02 -21.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.544 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 6.2 m-85 -114.66 106.48 52.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.62 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.769 2.313 . . . . 0.0 112.033 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.566 ' HB2' HD11 ' A' ' 75' ' ' LEU . 96.3 m-85 -135.03 158.18 45.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.575 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.8 p -129.53 162.34 28.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 51.6 m -161.44 97.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.4 t -75.71 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.596 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 46.7 m-85 -120.23 124.35 45.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.72 84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.425 ' C ' ' CD1' ' A' ' 117' ' ' LEU . 43.2 pttt -123.79 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.543 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.6 t -107.61 115.4 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 148' ' ' ILE . 1.2 tp -91.14 104.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 46.65 54.18 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.17 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -53.79 129.78 34.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.717 ' HB2' HG13 ' A' ' 181' ' ' ILE . 4.2 mt-30 -85.76 150.48 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.375 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.721 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.4 t -155.24 146.16 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.716 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.52 110.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 81.5 mt -98.06 117.08 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 115.98 27.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.276 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 32.2 m -106.11 135.43 47.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.244 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.59 ' OE2' ' O ' ' A' ' 173' ' ' TRP . 10.1 tp10 -131.3 151.9 51.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 0.0 111.017 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.732 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.93 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.247 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 161' ' ' HIS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 26.4 p80 -140.62 170.63 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.944 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -148.67 77.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -65.43 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.976 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.651 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 5.7 tp-100 -167.98 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' PRO . . . . . 0.686 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.0 Cg_exo -60.7 -52.07 4.19 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.817 2.344 . . . . 0.0 112.137 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -43.93 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 165' ' ' PRO . 13.1 m120 -121.94 -10.42 8.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.815 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.06 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.815 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.4 p-90 158.74 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.702 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.09 29.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.568 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 42.8 ttm180 -165.69 136.64 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.337 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' TRP . . . . . 0.732 ' N ' ' O ' ' A' ' 160' ' ' SER . 10.9 t-105 -107.55 138.96 42.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.822 HH22 HE22 ' A' ' 61' ' ' GLN . 94.8 mtt180 -125.39 152.25 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.225 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.455 ' HG ' ' HE1' ' A' ' 173' ' ' TRP . 0.7 OUTLIER -166.3 111.11 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 111.037 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 78.7 tt0 -116.44 124.65 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.106 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.616 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 47.5 m95 -120.56 116.91 26.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -98.6 119.83 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.721 ' O ' ' HA ' ' A' ' 153' ' ' THR . 1.8 t80 -117.49 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.681 ' O ' ' O ' ' A' ' 179' ' ' PHE . 3.0 m -50.04 -131.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' ILE . . . . . 0.844 ' O ' HG23 ' A' ' 182' ' ' THR . 0.3 OUTLIER -164.26 151.38 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.932 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 1.037 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 85.0 Cg_exo -34.32 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.463 2.776 . . . . 0.0 112.696 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' PRO . . . . . 0.932 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.4 Cg_endo -79.84 -4.35 13.34 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.828 2.352 . . . . 0.0 112.118 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' THR . . . . . 1.029 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.35 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.172 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.85 131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.918 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 1.044 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 77.7 mt-30 -106.78 -115.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.243 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.767 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.4 t 145.68 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.674 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.87 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.376 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.6 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.7 p -165.74 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.549 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' LEU . . . . . 0.915 ' N ' HD22 ' A' ' 192' ' ' LEU . 2.1 mm? -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' LYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 12.4 mttp -150.37 147.78 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.759 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 194' ' ' ILE . . . . . 0.516 ' CG2' ' HB3' ' A' ' 208' ' ' SER . 1.9 tp -149.41 134.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.252 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -142.35 130.32 21.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.947 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 46.8 t -132.67 136.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.131 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 197' ' ' HIS . . . . . 0.768 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 7.9 t60 -126.51 141.64 51.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 198' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.3 t80 -145.61 87.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.584 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.09 87.77 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 200' ' ' GLU . . . . . 0.792 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.6 tt0 -129.49 52.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.287 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 201' ' ' ASP . . . . . 0.792 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 86.4 m-20 114.85 2.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.64 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 203' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' B' ' 314' ' ' ARG . 15.6 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.649 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.05 129.18 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.543 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 205' ' ' GLN . . . . . 0.701 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 33.2 mt-30 -136.75 154.13 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.7 tt -122.28 87.24 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 88.2 t -90.05 122.22 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.374 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 208' ' ' SER . . . . . 0.847 ' OG ' ' HA ' ' B' ' 487' ' ' MET . 0.1 OUTLIER -149.57 147.21 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.819 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -157.83 145.11 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 210' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 55.1 tttp -135.5 129.12 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.2 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.229 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.14 154.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 213' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 213' ' ' GLN . 1.1 pm0 -150.22 102.56 3.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 214' ' ' ASP . . . . . 0.606 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 96.5 m-20 -118.82 166.08 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 215' ' ' SER . . . . . 1.044 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 28.7 p -117.79 103.43 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 216' ' ' VAL . . . . . 1.172 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 78.7 t -91.96 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 217' ' ' GLN . . . . . 1.029 ' HA ' ' O ' ' A' ' 185' ' ' THR . 76.7 mt-30 -102.65 128.05 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.568 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 218' ' ' VAL . . . . . 1.072 HG23 ' HB2' ' A' ' 186' ' ' ALA . 70.6 t -85.97 137.48 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.664 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.9 t -131.02 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 1.9 t -100.29 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 221' ' ' ASP . . . . . 0.467 ' O ' HG22 ' A' ' 224' ' ' THR . 66.8 t0 -86.82 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.03 -24.81 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -73.92 -56.74 4.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.573 ' OG1' ' CZ ' ' A' ' 228' ' ' PHE . 14.8 t -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 225' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.56 -57.12 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.1 -30.53 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 231' ' ' ILE . 70.8 tt0 -67.62 -38.72 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.43 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.573 ' CZ ' ' OG1' ' A' ' 224' ' ' THR . 22.5 m-85 -67.77 -53.91 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.389 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 229' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.9 mm -52.17 -27.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.395 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.8 -36.77 62.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 231' ' ' ILE . . . . . 0.46 HD13 ' O ' ' A' ' 227' ' ' GLU . 1.3 mp -67.49 -41.19 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 232' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 177' ' ' TRP . 49.5 mt -70.15 -44.41 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.14 -47.0 82.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -69.58 -43.93 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.471 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.91 61.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.15 -44.17 95.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 237' ' ' ASN . . . . . 0.517 ' HA ' HH12 ' B' ' 544' ' ' ARG . 22.3 t30 -60.03 -40.19 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.8 -34.34 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 239' ' ' TYR . . . . . 0.522 ' CE2' HD11 ' A' ' 243' ' ' ILE . 49.1 t80 -68.48 -44.38 74.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -68.17 -39.02 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 84.2 m -61.41 -45.79 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.68 71.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 243' ' ' ILE . . . . . 0.522 HD11 ' CE2' ' A' ' 239' ' ' TYR . 53.6 mt -69.16 -47.48 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.73 -34.18 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 245' ' ' GLU . . . . . 0.482 ' OE2' ' CE1' ' C' ' 677' ' ' TYR . 85.0 tt0 -66.89 -42.95 84.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.15 -34.57 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 247' ' ' TYR . . . . . 0.506 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.95 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -73.25 -50.85 20.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 249' ' ' THR . . . . . 0.554 ' O ' ' HB ' ' A' ' 253' ' ' THR . 15.3 m -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 33.9 mtt -72.94 -14.45 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.5 p -113.01 -10.08 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 66.4 t0 -132.12 47.75 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.563 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.1 m 175.69 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 254' ' ' THR . . . . . 0.554 ' N ' HG22 ' A' ' 253' ' ' THR . 9.0 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 255' ' ' PHE . . . . . 0.561 ' CE2' ' CZ ' ' B' ' 525' ' ' ARG . 48.0 t80 -47.62 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 256' ' ' LYS . . . . . 0.407 ' HA ' HH22 ' B' ' 525' ' ' ARG . 68.0 mttm -64.18 -11.82 34.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.23 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 259' ' ' ARG . . . . . 0.742 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.4 ttt180 -98.59 174.51 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.47 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 260' ' ' ARG . . . . . 0.742 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 31.8 mtp180 -109.24 153.18 24.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 261' ' ' GLN . . . . . 0.663 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 97.8 mt-30 -83.67 -11.27 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 5.7 mt -163.62 133.29 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 263' ' ' PRO . . . . . 0.719 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 78.8 Cg_exo -43.91 135.43 7.71 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.927 2.418 . . . . 0.0 112.063 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 264' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 265' ' ' THR . 3.7 m -37.85 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 265' ' ' THR . . . . . 0.479 ' O ' HG22 ' A' ' 267' ' ' THR . 72.1 p -64.24 -5.36 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 38.0 ttm180 54.16 55.54 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.8 t 173.28 114.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 64.1 mttp -16.87 131.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 269' ' ' ILE . . . . . 0.513 HD11 HG12 ' A' ' 274' ' ' ILE . 10.9 tt -50.32 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 96.8 m-20 -117.11 58.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 271' ' ' TRP . . . . . 0.604 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.6 m95 -21.41 -55.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 272' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 270' ' ' ASP . 24.3 t-20 -44.58 -25.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 273' ' ' LYS . . . . . 1.236 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 70.0 mmtt -99.96 -7.69 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.586 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 274' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 274' ' ' ILE . 1.7 mp -103.21 -1.17 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 73.4 mt -111.14 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 276' ' ' SER . . . . . 1.295 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.9 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 1.236 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.8 t80 -31.07 43.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.621 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 278' ' ' LYS . . . . . 1.295 ' N ' ' O ' ' A' ' 276' ' ' SER . 27.8 mmtp -107.64 80.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.592 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.6 mp 54.21 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.66 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.547 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 302' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 22.7 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -42.73 -51.27 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.31 -34.15 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 305' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.7 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.478 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.19 -40.65 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.82 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 308' ' ' CYS . . . . . 0.42 ' SG ' ' CD1' ' A' ' 38' ' ' LEU . 84.4 m -68.09 -37.2 80.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.355 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.16 -42.12 96.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.35 -38.41 84.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -68.28 -33.65 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.379 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.84 -43.71 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.361 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 95.4 mmm -64.37 -25.67 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 314' ' ' ARG . . . . . 0.525 ' O ' ' ND2' ' A' ' 203' ' ' ASN . 5.3 mpt_? -82.23 -12.37 58.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 315' ' ' ARG . . . . . 0.651 HH11 ' HG2' ' B' ' 315' ' ' ARG . 0.0 OUTLIER -100.08 -46.91 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 147.73 95.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.59 128.41 20.86 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.818 2.345 . . . . 0.0 112.029 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 318' ' ' PRO . . . . . 0.438 ' HA ' HG13 ' B' ' 321' ' ' ILE . 41.8 Cg_endo -71.5 -4.02 14.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.846 2.364 . . . . 0.0 112.047 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -80.58 -17.82 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.92 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 321' ' ' ILE . . . . . 0.438 HG13 ' HA ' ' B' ' 318' ' ' PRO . 85.2 mt -63.39 -40.9 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -59.73 -60.8 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -54.65 -54.36 42.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.515 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.67 -55.81 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.45 HD12 HG11 ' B' ' 343' ' ' VAL . 3.9 tt -47.14 -48.93 23.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.436 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.6 t -57.04 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.3 -40.76 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.508 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 60.0 tp -55.51 -41.01 72.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.48 -41.17 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.397 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -57.82 -37.99 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.397 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 331' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 331' ' ' LEU . 16.7 mt -71.23 -29.06 64.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.467 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.1 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.709 2.273 . . . . 0.0 112.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.29 -6.51 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.6 mt -119.0 20.87 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.11 -55.89 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.26 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -58.73 -36.12 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 339' ' ' LEU . . . . . 0.481 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.8 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 340' ' ' LEU . . . . . 0.642 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 45.4 mt -81.5 12.39 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.0 p -144.06 -3.78 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.5 m -119.32 -15.5 9.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 343' ' ' VAL . . . . . 0.45 HG11 HD12 ' B' ' 325' ' ' LEU . 96.7 t -105.86 120.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -87.87 128.61 35.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.26 165.95 28.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.43 125.25 5.84 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.873 2.382 . . . . 0.0 112.104 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 347' ' ' LEU . . . . . 0.471 HD21 HD11 ' B' ' 451' ' ' ILE . 93.4 mt -66.72 122.51 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.663 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 348' ' ' LYS . . . . . 0.506 ' O ' HD12 ' B' ' 361' ' ' LEU . 14.1 mptt -88.65 148.83 23.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.397 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.8 tt -102.96 136.39 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.744 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 350' ' ' ALA . . . . . 0.719 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.63 157.66 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -114.31 143.31 45.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 63.8 t0 -111.91 81.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.415 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.6 mttt -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.49 -52.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 6.4 t -92.97 -25.42 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.15 24.68 70.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 357' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 352' ' ' ASP . 41.4 mmtm -115.1 154.86 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.6 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 358' ' ' ASP . . . . . 0.719 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.1 m-20 -94.77 143.09 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.692 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 44.4 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.19 156.64 38.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.677 ' N ' HD12 ' B' ' 361' ' ' LEU . 4.8 mp -108.53 158.58 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 362' ' ' CYS . . . . . 0.641 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 25.3 p -168.26 168.65 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 363' ' ' ASP . . . . . 0.642 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.49 -10.3 59.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 364' ' ' TYR . . . . . 0.463 ' HB2' HG11 ' B' ' 431' ' ' VAL . 98.1 m-85 -88.34 -18.22 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 365' ' ' ASN . . . . . 0.641 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 41.9 p-10 -123.23 24.75 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 366' ' ' ARG . . . . . 0.445 ' CZ ' ' OH ' ' B' ' 371' ' ' TYR . 58.5 ttt180 -119.96 129.85 54.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -122.19 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.05 -98.74 1.74 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.33 8.77 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 370' ' ' SER . . . . . 1.009 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 3.6 m -122.4 161.35 23.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 371' ' ' TYR . . . . . 1.104 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.4 m-85 -118.29 150.75 38.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.573 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 372' ' ' ARG . . . . . 0.764 ' NH1' ' O ' ' B' ' 387' ' ' ALA . 2.1 ttm-85 -98.72 124.74 43.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.645 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 373' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 78.8 p -79.62 133.76 58.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.778 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.89 -14.77 19.15 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.869 2.379 . . . . 0.0 112.21 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -85.87 -66.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.1 p -83.17 -18.6 38.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 377' ' ' ASN . . . . . 0.593 ' HA ' ' O ' ' B' ' 373' ' ' SER . 6.4 t-20 70.3 40.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -141.53 137.84 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 379' ' ' TYR . . . . . 1.104 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.69 140.43 58.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 380' ' ' ASP . . . . . 0.755 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.98 -60.41 6.19 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.387 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 381' ' ' PRO . . . . . 1.009 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 31.4 Cg_exo -65.42 120.0 7.13 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.962 2.442 . . . . 0.0 112.323 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -41.5 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.014 2.476 . . . . 0.0 112.276 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.56 177.59 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.516 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -111.66 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -117.0 66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.535 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 386' ' ' GLY . . . . . 0.817 ' HA3' ' CZ ' ' B' ' 379' ' ' TYR . . . -72.23 151.72 47.34 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 387' ' ' ALA . . . . . 0.764 ' O ' ' NH1' ' B' ' 372' ' ' ARG . . . -63.96 127.23 30.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -132.29 148.52 70.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.92 150.77 49.73 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.765 2.31 . . . . 0.0 112.152 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.75 142.92 17.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.83 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -67.79 -37.9 82.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.84 -42.44 70.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.33 -36.77 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -63.55 -46.56 85.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.353 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.39 -31.96 73.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 397' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 401' ' ' ASN . 81.1 tt0 -67.86 -38.05 82.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.05 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.7 -37.05 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.311 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.95 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 401' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 57.4 m-80 -63.94 -39.01 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.363 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.12 -40.42 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.384 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.375 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.3 -29.2 67.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.66 -38.82 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -77.02 -32.98 57.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 407' ' ' TYR . . . . . 0.537 ' OH ' ' NH2' ' A' ' 259' ' ' ARG . 24.6 t80 -69.76 -18.56 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 408' ' ' ARG . . . . . 0.586 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.7 ttp180 -83.89 -35.44 24.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.532 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -85.24 -8.99 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 410' ' ' LEU . . . . . 0.676 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 51.5 mt -95.77 -17.93 20.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 411' ' ' TYR . . . . . 0.719 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.87 -38.04 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 3.0 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 413' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 95.0 mt-10 63.54 24.33 13.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.7 -154.5 25.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 415' ' ' GLY . . . . . 0.586 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.44 -163.49 52.9 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 416' ' ' VAL . . . . . 0.53 ' HA ' HH11 ' B' ' 408' ' ' ARG . 16.7 t -128.69 153.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 33.7 p -143.6 148.5 35.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 9.4 p -148.17 143.98 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 66.4 t -132.83 130.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.719 ' C ' HD12 ' B' ' 421' ' ' LEU . 63.7 m-85 -128.44 132.5 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.719 HD12 ' C ' ' B' ' 420' ' ' TYR . 11.2 mp -119.69 158.44 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -154.51 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -43.04 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.677 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 424' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.3 mt -127.89 -147.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 425' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 425' ' ' ASP . 26.1 p-10 -87.29 -49.85 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 426' ' ' HIS . . . . . 0.428 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 80.4 m80 -129.79 30.79 4.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.64 -135.72 2.58 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.68 154.08 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 429' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' B' ' 424' ' ' LEU . . . -124.01 172.84 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 430' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.69 35.03 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 431' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.07 126.35 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 110.558 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.32 113.69 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 450' ' ' SER . 50.6 mt -102.9 143.22 32.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 434' ' ' ILE . . . . . 0.461 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.74 119.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -122.64 127.49 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 436' ' ' LYS . . . . . 0.561 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.09 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.93 138.13 40.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 439' ' ' ASP . . . . . 0.654 ' CG ' ' HZ1' ' C' ' 611' ' ' LYS . 94.5 m-20 -50.67 128.06 19.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.524 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.73 76.1 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.7 p -110.33 -4.25 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.657 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' C' ' 677' ' ' TYR . 41.7 tptt -89.2 153.86 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 443' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' B' ' 442' ' ' LYS . 53.7 mtmt -56.88 -43.82 81.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 444' ' ' ILE . . . . . 0.46 ' H ' ' HG3' ' B' ' 442' ' ' LYS . 54.0 mt -95.13 135.97 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -105.81 154.71 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.42 24.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.45 130.6 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 448' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.6 t-105 -114.78 116.25 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 449' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 4.8 m-20 -109.46 127.16 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.289 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 450' ' ' SER . . . . . 0.523 ' OG ' ' NE2' ' B' ' 452' ' ' HIS . 1.8 t -115.93 122.83 46.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 451' ' ' ILE . . . . . 0.471 HD11 HD21 ' B' ' 347' ' ' LEU . 41.6 mt -127.97 100.75 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.222 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 452' ' ' HIS . . . . . 0.523 ' NE2' ' OG ' ' B' ' 450' ' ' SER . 15.3 m-70 -108.64 132.44 53.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.72 95.66 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.216 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.73 153.61 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -131.81 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 16.2 t -79.11 139.62 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -123.49 68.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 458' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 98.0 mt-10 -40.35 146.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.63 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 459' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' B' ' 464' ' ' THR . 64.4 tttm -109.38 141.95 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.88 -54.21 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.7 146.55 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 462' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 59.18 -0.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.73 0.3 . . . . 0.0 110.563 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 464' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 462' ' ' GLY . 4.0 t -82.3 123.63 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.86 33.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -92.93 126.56 38.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.15 139.43 38.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -135.82 86.16 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 470' ' ' THR . . . . . . . . . . . . . 16.3 m -157.84 62.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.029 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 471' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.7 p -64.72 174.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 472' ' ' THR . . . . . 0.448 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.79 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 473' ' ' VAL . . . . . 0.467 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 91.9 t -69.72 143.86 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.058 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 474' ' ' MET . . . . . 0.459 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 18.4 ttm -124.85 95.99 4.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.133 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 475' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.8 tp -86.68 131.18 34.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 476' ' ' TRP . . . . . 0.442 ' CD1' ' C ' ' B' ' 476' ' ' TRP . 3.6 t-105 -125.26 130.29 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -137.35 124.69 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.742 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 478' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' B' ' 479' ' ' THR . 1.1 tm0? -138.22 158.15 44.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.434 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 479' ' ' THR . . . . . 0.521 ' CG2' ' HB3' ' B' ' 487' ' ' MET . 4.1 t -163.42 127.5 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 480' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.8 m-20 -108.22 73.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 88.4 tttt -107.58 146.68 31.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 482' ' ' THR . . . . . 0.525 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.6 m -57.27 -46.03 83.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.57 -25.31 68.68 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.1 p -125.9 14.87 8.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.632 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 486' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 484' ' ' SER . 69.1 p -126.04 114.0 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.513 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 487' ' ' MET . . . . . 0.847 ' HA ' ' OG ' ' A' ' 208' ' ' SER . 11.7 ttt -125.11 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -119.0 124.02 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.608 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 489' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.4 tp -131.69 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.41 -163.82 21.79 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 491' ' ' GLY . . . . . 0.628 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.87 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 492' ' ' SER . . . . . 0.628 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.0 p 163.25 135.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 493' ' ' LEU . . . . . 0.55 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.48 149.44 30.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 494' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' B' ' 495' ' ' ARG . 5.3 p -127.09 142.87 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.504 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 495' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 494' ' ' THR . 15.0 mmt180 -149.95 128.73 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.666 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.88 160.53 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 16.3 tpp -160.03 130.49 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 498' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.9 pm0 -133.53 141.55 47.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -172.2 145.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 500' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.9 p-10 -91.2 125.21 35.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -120.72 160.17 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 67.6 p -94.27 131.9 39.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.64 122.38 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 86.7 p -143.01 -177.26 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.94 77.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.58 -19.87 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 22.0 t -135.45 73.47 62.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 508' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 7.9 Cg_exo -72.54 -172.62 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.851 2.368 . . . . 0.0 112.182 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -58.69 -62.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.9 mt -42.79 -49.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 511' ' ' ALA . . . . . 0.464 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -55.0 -49.25 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.626 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -62.97 -48.18 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.05 -33.64 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.63 73.76 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.29 -44.33 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.691 0.282 . . . . 0.0 110.731 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.26 -52.45 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.53 -47.15 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -57.91 -51.72 68.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 519' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.7 t0 -63.55 -37.48 87.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 5.3 tpt -64.37 -49.44 71.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 521' ' ' GLU . . . . . 0.402 ' OE1' ' CG2' ' B' ' 473' ' ' VAL . 2.9 tp10 -62.57 -45.35 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.688 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -56.81 -41.54 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -70.59 -38.42 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 524' ' ' ILE . . . . . 0.426 ' HA ' HD13 ' B' ' 524' ' ' ILE . 27.6 mm -74.48 -24.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 525' ' ' ARG . . . . . 0.561 ' CZ ' ' CE2' ' A' ' 255' ' ' PHE . 1.5 tmt_? -68.71 -27.68 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.3 t -85.01 -38.76 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 71.0 p -66.04 -35.79 81.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 528' ' ' LEU . . . . . 0.709 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 44.6 mt -64.99 -42.37 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -68.54 -31.29 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 530' ' ' GLU . . . . . 0.967 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.2 mt-10 -74.4 -54.43 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -61.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.562 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 532' ' ' TYR . . . . . 0.709 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 15.9 m-85 -50.27 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 533' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.77 40.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.585 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 534' ' ' GLY . . . . . 0.967 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 535' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' B' ' 536' ' ' THR . 31.0 mmtp -56.91 -68.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.557 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.661 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 51.2 p -34.79 -57.98 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.4 -53.28 30.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.17 -44.94 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 539' ' ' ILE . . . . . 0.662 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 34.3 mm -61.74 -36.04 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.46 -41.97 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -69.82 -17.08 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.33 47.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.462 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.13 -51.44 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 544' ' ' ARG . . . . . 0.818 ' HG2' ' H ' ' B' ' 545' ' ' SER . 3.5 tmt_? -141.8 170.12 16.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 545' ' ' SER . . . . . 0.818 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.6 t -142.16 137.86 31.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 546' ' ' ILE . . . . . 0.513 HG23 ' N ' ' B' ' 547' ' ' ASP . 10.7 tt -69.1 -43.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 547' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 548' ' ' ALA . 67.2 t0 -82.9 138.6 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.614 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.12 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' B' ' 551' ' ' ASP . 82.4 mt -79.54 112.75 31.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.2 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.92 2.413 . . . . 0.0 112.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.1 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -129.9 116.19 18.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.524 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -85.3 -24.79 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 558' ' ' LEU . 64.4 tttm -52.56 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -45.13 -56.69 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 556' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' B' ' 556' ' ' LYS . 4.1 mptp? -57.53 -46.95 83.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.762 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.81 -29.72 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.786 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 558' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.3 tp -77.76 -30.37 51.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.54 -36.38 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -58.2 -40.51 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.777 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 561' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 565' ' ' VAL . 72.6 mm-40 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.699 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 50.0 tp -49.1 -40.69 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.6 m -61.21 -76.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.736 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -36.72 -13.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 22.3 t -72.11 -42.71 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.0 tp -81.45 -35.57 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.612 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.22 -19.65 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -117.51 6.63 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.94 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 570' ' ' GLN . . . . . 0.858 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.5 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 571' ' ' ILE . . . . . 0.858 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 3.5 mm . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 601' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.1 5.98 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 603' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' C' ' 607' ' ' MET . 10.8 p-10 -49.85 -37.78 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 604' ' ' LYS . . . . . 0.451 ' H ' ' HG3' ' C' ' 604' ' ' LYS . 59.0 mttt -69.71 -52.2 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.09 -28.93 56.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -75.64 -53.66 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 607' ' ' MET . . . . . 0.533 ' HG2' HD11 ' C' ' 632' ' ' LEU . 44.1 mtm -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -56.76 -16.02 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 609' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.42 -50.69 13.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.639 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.2 1.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 611' ' ' LYS . . . . . 0.654 ' HZ1' ' CG ' ' B' ' 439' ' ' ASP . 54.0 tttp -102.07 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.4 -4.22 21.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 613' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.83 58.53 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 9.6 t0 -63.89 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 615' ' ' LEU . . . . . 0.933 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.7 tm? -44.93 -17.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.71 -27.54 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.536 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 617' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.5 tp10 -81.54 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 618' ' ' VAL . . . . . 0.513 ' CG1' HD22 ' C' ' 615' ' ' LEU . 8.4 p -62.82 -28.37 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 619' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 87.9 tttt -66.23 -21.86 66.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 620' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 31.1 t70 -75.4 -45.48 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -60.91 -59.2 5.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.575 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.69 -27.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 623' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.67 -16.8 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.81 -76.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 625' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.88 82.31 0.1 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 626' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.6 pt-20 34.31 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 627' ' ' ASP . . . . . 0.537 ' O ' ' NE ' ' C' ' 630' ' ' ARG . 40.0 m-20 -141.0 62.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 628' ' ' VAL . . . . . 0.788 ' O ' HG23 ' C' ' 628' ' ' VAL . 19.9 m -121.97 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 629' ' ' ASN . . . . . 0.504 ' H ' ' HD2' ' C' ' 630' ' ' ARG . 65.0 t30 -173.06 5.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 630' ' ' ARG . . . . . 0.694 ' H ' ' CD ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.04 166.82 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 631' ' ' THR . . . . . 0.505 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.07 87.64 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 632' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' C' ' 607' ' ' MET . 16.3 tp -31.28 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.429 ' H ' ' HB3' ' C' ' 632' ' ' LEU . 84.5 tt0 -71.67 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.36 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 635' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.72 0.18 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.9 164.92 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.548 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 637' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.5 mptm? -108.42 156.97 37.69 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.821 2.348 . . . . 0.0 112.138 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 639' ' ' LEU . . . . . 0.487 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.7 -16.32 10.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.502 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.18 -43.86 49.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -71.71 -35.96 70.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.96 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 4.5 t70 -60.63 -35.65 76.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 645' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.2 t -160.92 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.04 34.08 4.47 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 647' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 13.9 mm100 51.75 4.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.525 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 648' ' ' LEU . . . . . 0.916 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 6.99 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.78 -12.58 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.53 -36.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.629 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 1.098 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 652' ' ' GLU . . . . . 0.824 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 85.2 tt0 -56.22 -22.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.528 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 653' ' ' PHE . . . . . 0.973 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.89 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 654' ' ' LEU . . . . . 1.025 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.34 6.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.637 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 655' ' ' LEU . . . . . 0.973 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.93 -47.86 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.27 -25.41 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.523 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.78 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 658' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.3 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 659' ' ' ALA . . . . . 0.71 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.04 33.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 660' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.0 m-20 -57.42 10.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 661' ' ' ILE . . . . . 0.71 ' H ' ' C ' ' C' ' 659' ' ' ALA . 8.4 tp -66.01 1.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 662' ' ' ASN . . . . . 1.086 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.61 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 663' ' ' ALA . . . . . 0.771 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.09 -33.67 0.28 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 664' ' ' PRO . . . . . 1.086 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.9 Cg_exo -46.93 120.8 4.43 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.868 2.378 . . . . 0.0 112.095 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -125.9 -50.49 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -78.78 -16.15 57.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 667' ' ' HIS . . . . . 0.462 ' N ' ' ND1' ' C' ' 667' ' ' HIS . 3.7 m80 -80.51 -6.23 57.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.586 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 40.44 37.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 670' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.0 OUTLIER -96.24 168.68 10.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 671' ' ' PRO . . . . . 0.473 ' O ' ' OG ' ' C' ' 674' ' ' SER . 51.3 Cg_endo -72.48 -30.48 12.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.785 2.323 . . . . 0.0 112.144 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.38 -49.04 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 673' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.4 tp -67.9 -27.77 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 674' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.2 p -51.81 -40.9 61.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 675' ' ' ALA . . . . . 0.417 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.59 -29.96 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 676' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 8.8 t -47.17 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 677' ' ' TYR . . . . . 0.516 ' O ' ' NZ ' ' B' ' 442' ' ' LYS . 25.3 t80 -77.9 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 678' ' ' GLU . . . . . 0.465 ' OE1' ' NZ ' ' B' ' 442' ' ' LYS . 34.2 tp10 -124.5 -28.66 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.44 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.0 m80 -71.97 -53.54 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 681' ' ' VAL . . . . . 0.778 ' O ' HG22 ' C' ' 684' ' ' VAL . 6.7 m 43.31 -5.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.2 m -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.93 -48.72 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 684' ' ' VAL . . . . . 0.778 HG22 ' O ' ' C' ' 681' ' ' VAL . 4.2 m -41.86 -34.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 685' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' C' ' 687' ' ' LEU . 37.9 ttmt -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.91 1.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 687' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 688' ' ' LEU . . . . . 0.475 HD12 ' O ' ' C' ' 693' ' ' ASP . 7.0 tt -45.73 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 689' ' ' SER . . . . . 0.408 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.2 m -55.8 -21.56 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.539 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -99.65 -6.24 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 692' ' ' ALA . . . . . 0.585 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 90.2 m-20 33.17 -128.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.597 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 694' ' ' LYS . . . . . 0.453 ' O ' HG23 ' C' ' 695' ' ' THR . 34.1 ttpt -152.5 -23.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 695' ' ' THR . . . . . 0.53 ' CG2' ' OG1' ' C' ' 703' ' ' THR . 0.7 OUTLIER -156.61 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.69 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -140.13 23.54 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.8 20.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 699' ' ' PRO . . . . . 0.659 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 77.6 Cg_exo -44.82 -27.77 2.61 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.789 2.326 . . . . 0.0 112.15 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 700' ' ' ASP . . . . . 0.659 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 4.4 m-20 157.79 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 701' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' C' ' 705' ' ' LEU . . . -84.82 0.31 89.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 702' ' ' LEU . . . . . 0.629 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.8 -66.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 703' ' ' THR . . . . . 0.886 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 89.6 m 16.17 -95.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 704' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 705' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' C' ' 701' ' ' GLY . 2.5 tt -62.86 -75.52 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.614 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.68 15.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 707' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 708' ' ' THR . . . . . 0.541 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.1 m -139.82 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 709' ' ' ASP . . . . . 0.541 ' H ' HG22 ' C' ' 708' ' ' THR . 53.8 p-10 -148.76 -4.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -72.55 151.84 42.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.55 -20.54 62.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.16 -60.37 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 713' ' ' ILE . . . . . 0.407 HG21 HD12 ' C' ' 713' ' ' ILE . 0.0 OUTLIER -70.06 -37.64 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.579 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.09 -29.9 23.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 715' ' ' ALA . . . . . 0.567 ' O ' ' HG ' ' C' ' 716' ' ' LEU . . . -28.23 14.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 716' ' ' LEU . . . . . 0.792 ' O ' ' CB ' ' C' ' 717' ' ' LEU . 2.0 mp -161.07 98.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 717' ' ' LEU . . . . . 0.792 ' CB ' ' O ' ' C' ' 716' ' ' LEU . 1.1 tt 124.14 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 718' ' ' GLN . . . . . 0.745 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 36.4 tt0 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.596 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 8' ' ' VAL . 12.0 p -54.1 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.739 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.4 t -45.83 162.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.654 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 43.3 p-10 -64.9 -33.63 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 96.6 mt-10 -60.47 -39.32 87.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.55 -41.03 84.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.7 t -65.26 -43.76 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -61.53 -39.72 92.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.461 HD12 ' CG ' ' B' ' 327' ' ' ASP . 31.4 mm -65.44 -47.37 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.89 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 97.0 mttt -65.88 -41.34 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -65.16 -44.81 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.66 -46.51 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -76.03 8.47 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.78 15.4 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.492 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.52 146.96 81.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 12.3 Cg_exo -68.21 167.56 21.68 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.352 . . . . 0.0 112.036 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.02 116.24 4.61 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.751 2.301 . . . . 0.0 112.101 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.45 35.5 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -149.31 37.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 110.516 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 52.6 p90 -73.95 -48.78 28.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 66.5 t30 -57.03 -57.38 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.618 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -44.53 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.6 t -60.82 -42.52 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.631 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 79.5 t80 -59.2 -50.85 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -59.99 -37.98 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.667 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.03 -42.08 97.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 32' ' ' VAL . 82.7 t -67.05 -41.9 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -56.31 -54.85 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.405 HD13 ' SG ' ' B' ' 308' ' ' CYS . 35.7 mt -59.3 -34.79 72.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 mt -73.26 -49.71 26.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 63.3 t30 46.65 49.67 13.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 69.9 m-20 -168.68 79.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -51.87 -37.94 54.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -54.16 -44.18 71.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.29 -30.82 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.631 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 35.2 tp -62.76 -38.68 91.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -66.25 -35.5 80.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -41.02 -59.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.87 48.63 0.92 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.13 -56.82 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.56 87.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -54.31 -37.02 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.33 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 32.6 m-85 -46.59 -56.57 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.66 -72.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 87.0 mt-30 -33.65 -45.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.03 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -47.0 -30.88 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 76.4 mtp -68.89 -66.54 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 174' ' ' ARG . 98.0 m-20 -67.91 10.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 63' ' ' THR . 15.6 mm100 -124.56 24.79 7.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.6 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 77.8 m-85 23.83 44.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.0 m -58.83 111.34 3.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.7 Cg_exo -75.65 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.874 2.382 . . . . 0.0 112.219 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG22 ' N ' ' A' ' 66' ' ' LYS . 10.3 p -109.41 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.643 ' N ' HG22 ' A' ' 65' ' ' VAL . 34.9 pttt -125.16 103.96 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.665 ' O ' ' C ' ' A' ' 68' ' ' GLU . 48.0 mt -51.52 148.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 67' ' ' ILE . 84.0 tt0 -13.22 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.793 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.9 m-85 -137.47 14.71 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.627 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 4.7 p-10 20.2 39.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 1.074 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.2 t0 -98.78 19.41 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 22.8 mm100 -0.22 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.074 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.92 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.725 HD12 ' C ' ' A' ' 74' ' ' VAL . 9.9 mp -113.34 152.38 30.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 95.8 mt -104.14 105.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.2 p -130.13 -176.95 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.8 -31.26 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.485 ' CE1' HD13 ' A' ' 155' ' ' ILE . 86.1 m-70 -64.0 -23.64 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.15 15.68 50.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -85.53 100.02 11.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.8 0.333 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp -49.61 -51.55 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.73 25.38 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.79 9.34 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.599 ' NH2' ' O ' ' A' ' 107' ' ' ASP . 29.8 mtp180 -108.35 168.7 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.519 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 53.9 m-85 -114.51 -170.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -118.3 157.38 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.703 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 18.5 t0 -139.33 89.03 12.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.561 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 23.5 Cg_exo -61.01 -36.69 81.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.852 2.368 . . . . 0.0 111.995 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -59.43 -75.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -76.43 -20.4 57.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.703 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 62.0 mttm 62.76 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.527 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 15.4 tt -146.5 154.43 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.567 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.818 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.8 t -92.65 133.02 36.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.708 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 37.7 p90 -140.11 136.61 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.7 tttt -88.62 113.38 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.878 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.6 t80 -82.71 133.11 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 31.1 t0 -104.6 90.16 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.522 ' CB ' ' HB3' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -36.38 -67.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.593 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 100' ' ' HIS . 69.4 mt -47.41 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.0 tpp180 -52.75 156.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -88.88 2.35 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -117.27 150.22 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.878 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.5 m -95.53 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.599 ' O ' ' NH2' ' A' ' 86' ' ' ARG . 1.3 m-20 73.75 54.51 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.818 ' CA ' ' O ' ' A' ' 95' ' ' SER . 57.2 Cg_endo -73.5 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.839 2.36 . . . . 0.0 112.069 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.815 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.9 OUTLIER -160.15 124.57 2.1 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -47.2 131.0 17.55 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.841 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.404 ' OE2' HD11 ' A' ' 88' ' ' LEU . 72.5 tt0 -122.91 102.52 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.0 p-10 -75.5 88.45 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.98 164.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.02 -30.07 58.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 71.94 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.74 -59.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.11 3.34 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' GLN . 37.9 ttpt -53.98 -41.91 68.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER -39.21 -55.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -62.58 -47.59 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.851 HH21 ' H ' ' A' ' 145' ' ' GLY . 22.0 ttm180 -53.89 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.647 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 35.4 t70 -25.44 -45.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.91 -67.25 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 6.3 t -51.1 -48.55 61.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.62 ' CG ' ' HB ' ' A' ' 143' ' ' VAL . 0.9 OUTLIER -40.47 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 27.0 m -48.04 -46.15 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.449 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.28 -51.49 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.82 -12.23 60.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.471 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 126' ' ' SER . 13.5 tpt180 -66.39 -32.78 74.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.555 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 18.5 t80 -54.73 -38.79 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 134' ' ' ASP . 19.2 m -74.75 -40.52 46.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 61.9 mttm -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.57 7.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.544 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.535 ' HB3' ' HE ' ' B' ' 544' ' ' ARG . 38.6 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 44.5 m-85 -114.67 106.45 52.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.55 -57.17 2.34 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.764 2.31 . . . . 0.0 112.072 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -127.55 50.06 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.82 163.64 12.64 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.546 ' CB ' HD11 ' A' ' 75' ' ' LEU . 95.0 m-85 -135.09 158.15 45.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.628 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 2.9 p -129.54 162.25 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.546 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 24.9 m -161.38 97.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.62 ' HB ' ' CG ' ' A' ' 125' ' ' ASP . 49.3 t -75.75 143.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 37.2 m-85 -120.21 124.29 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.542 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.851 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.77 84.53 0.37 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -123.76 167.37 14.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.56 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.0 p -107.55 115.38 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.504 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 148' ' ' ILE . 2.9 tt -91.16 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 46.62 54.22 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.91 -62.84 4.16 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -53.8 129.83 34.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.661 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.735 ' H ' HG21 ' A' ' 181' ' ' ILE . 71.5 mt-30 -85.82 150.52 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.3 t -155.25 146.13 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.513 HD13 HD21 ' A' ' 117' ' ' LEU . 12.9 mm -108.48 110.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.443 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 77.1 mt -98.12 117.08 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 116.07 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 37.5 m -106.16 135.44 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ILE . . . . . 0.651 HD13 ' OG ' ' A' ' 175' ' ' SER . 4.8 mp -122.76 137.71 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.188 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 14.7 tm-20 -131.3 151.96 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.396 . . . . 0.0 111.008 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.94 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 16.6 p-80 -140.71 170.61 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -148.62 77.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.237 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -65.35 147.44 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.462 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.2 tm0? -167.96 66.05 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.8 Cg_endo -60.72 -52.13 4.11 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.786 2.324 . . . . 0.0 112.109 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -43.83 -8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.418 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 8.5 m120 -121.89 -10.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.819 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.12 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.819 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.6 p-90 158.77 127.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -136.0 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.348 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.84 163.14 29.04 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.75 136.64 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' TRP . . . . . 0.733 ' N ' ' O ' ' A' ' 160' ' ' SER . 7.1 t-105 -107.55 138.89 42.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 193' ' ' LYS . 53.3 mtp180 -125.36 152.3 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.21 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.651 ' OG ' HD13 ' A' ' 158' ' ' ILE . 0.0 OUTLIER -166.31 111.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.913 0.387 . . . . 0.0 111.025 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.635 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 85.4 tt0 -116.39 124.69 50.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.124 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 44.9 m95 -120.59 116.94 26.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.913 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -98.58 119.83 37.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.412 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.722 ' O ' ' HA ' ' A' ' 153' ' ' THR . 3.0 t80 -117.46 88.58 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.743 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.678 ' O ' ' O ' ' A' ' 179' ' ' PHE . 2.9 t -50.05 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 182' ' ' THR . 0.0 OUTLIER -164.31 151.33 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.687 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.928 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.76 61.41 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.472 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 1.07 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 83.9 Cg_exo -34.36 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.434 2.756 . . . . 0.0 112.688 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 184' ' ' PRO . . . . . 0.928 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.8 Cg_endo -79.87 -4.35 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.876 2.384 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' THR . . . . . 1.055 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.6 OUTLIER 159.36 -18.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.24 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.156 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.8 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.942 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 1.063 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.3 mt-30 -106.75 -115.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.223 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.774 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.5 t 145.66 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 189' ' ' ALA . . . . . 0.774 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.37 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.78 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.535 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 192' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 192' ' ' LEU . 6.7 mp -85.6 157.86 20.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 193' ' ' LYS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 30.5 mttt -150.32 147.83 28.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 194' ' ' ILE . . . . . 0.768 HD13 ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -149.49 134.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.306 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.768 ' N ' HD13 ' A' ' 194' ' ' ILE . 89.0 mt-30 -142.37 130.28 21.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.911 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.703 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 2.9 t -132.7 136.61 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.169 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 197' ' ' HIS . . . . . 0.77 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 8.9 t-80 -126.5 141.56 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.945 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 198' ' ' TYR . . . . . 0.604 ' O ' ' CD2' ' A' ' 198' ' ' TYR . 61.4 t80 -145.54 87.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.286 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.5 t80 -100.1 87.8 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 200' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 61.7 tt0 -129.46 52.14 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.32 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 201' ' ' ASP . . . . . 0.799 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 59.5 t0 114.87 2.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.407 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.66 -129.11 1.08 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -172.85 99.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.575 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.05 129.13 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.554 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 205' ' ' GLN . . . . . 0.703 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.6 tt0 -136.73 154.12 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.529 HD22 ' OH ' ' A' ' 247' ' ' TYR . 12.7 tp -122.24 87.22 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 207' ' ' VAL . . . . . 0.453 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 13.5 t -90.06 122.22 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.383 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 208' ' ' SER . . . . . 0.432 ' HB2' HG22 ' A' ' 194' ' ' ILE . 0.7 OUTLIER -149.56 147.19 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.807 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -157.82 145.11 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -135.45 129.04 32.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 211' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 44.1 p-10 -103.56 129.85 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.19 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.9 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -150.2 102.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 214' ' ' ASP . . . . . 0.619 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.1 t0 -118.88 166.06 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 215' ' ' SER . . . . . 1.063 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 21.6 p -117.8 103.42 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 216' ' ' VAL . . . . . 1.156 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 88.9 t -91.95 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 217' ' ' GLN . . . . . 1.055 ' HA ' ' O ' ' A' ' 185' ' ' THR . 79.7 mt-30 -102.64 128.06 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 218' ' ' VAL . . . . . 1.07 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 76.6 t -85.98 137.48 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.628 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.5 t -131.04 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 220' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 224' ' ' THR . 3.0 t -100.23 -163.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 221' ' ' ASP . . . . . 0.464 ' O ' HG22 ' A' ' 224' ' ' THR . 45.1 t0 -86.85 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.11 -24.67 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -74.01 -56.74 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 221' ' ' ASP . 15.2 t -54.66 -36.88 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 225' ' ' ALA . . . . . 0.466 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.58 -57.11 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.447 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -57.1 -30.47 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.62 -38.76 84.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.481 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 4.9 t80 -67.72 -53.91 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.414 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 229' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.3 mm -52.17 -27.35 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.366 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -74.85 -36.74 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 231' ' ' ILE . . . . . 0.5 HG13 HG21 ' A' ' 216' ' ' VAL . 35.9 mm -67.51 -41.19 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.443 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 232' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 177' ' ' TRP . 43.1 mt -70.07 -44.51 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -57.08 -46.97 82.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -69.68 -43.88 71.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.94 61.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 236' ' ' GLU . . . . . 0.565 ' CG ' ' NH1' ' B' ' 544' ' ' ARG . 15.9 tp10 -60.17 -44.1 95.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 237' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.03 -40.24 88.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.74 -34.33 73.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.42 -44.48 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -38.98 82.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 78.0 m -61.48 -45.74 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.69 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.17 -47.59 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.63 -34.22 73.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.9 -42.92 84.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.09 -34.66 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 247' ' ' TYR . . . . . 0.549 ' O ' ' OG ' ' A' ' 251' ' ' SER . 3.4 m-85 -64.91 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 248' ' ' GLN . . . . . 0.555 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 78.0 mt-30 -73.23 -50.86 20.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 249' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 253' ' ' THR . 81.5 p -64.75 -34.84 79.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 46.3 mtt -72.92 -14.46 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 251' ' ' SER . . . . . 0.64 ' OG ' ' HB3' ' B' ' 533' ' ' PHE . 1.1 m -113.0 -10.07 13.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 252' ' ' ASP . . . . . 0.786 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 3.0 p30 -132.1 47.72 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 8.4 m 175.73 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 254' ' ' THR . . . . . 0.514 ' OG1' ' CD1' ' B' ' 444' ' ' ILE . 9.2 m -53.52 -61.17 2.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 255' ' ' PHE . . . . . 0.651 ' CE1' ' ND2' ' B' ' 529' ' ' ASN . 3.4 t80 -47.74 -57.52 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 256' ' ' LYS . . . . . 0.723 ' NZ ' ' NE ' ' C' ' 636' ' ' ARG . 6.9 ptmm? -64.17 -11.83 34.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.21 -18.2 30.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 259' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.61 174.45 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 260' ' ' ARG . . . . . 0.525 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 0.7 OUTLIER -109.16 153.19 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -83.72 -11.21 57.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.61 133.27 3.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 263' ' ' PRO . . . . . 0.724 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.91 135.4 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.915 2.41 . . . . 0.0 112.056 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 264' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 265' ' ' THR . 4.4 m -37.75 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 265' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 265' ' ' THR . 82.2 m -64.18 -5.42 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 266' ' ' ARG . . . . . 0.681 ' N ' ' O ' ' A' ' 263' ' ' PRO . 20.8 mmm180 54.13 55.59 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 267' ' ' THR . . . . . 0.638 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.7 m 173.27 114.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 268' ' ' LYS . . . . . 0.638 ' C ' ' O ' ' A' ' 267' ' ' THR . 68.7 mttm -16.71 131.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 269' ' ' ILE . . . . . . . . . . . . . 2.2 pt -50.34 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.805 ' O ' ' N ' ' A' ' 273' ' ' LYS . 1.0 OUTLIER -117.12 58.57 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 271' ' ' TRP . . . . . 0.626 ' CE2' ' HA3' ' B' ' 514' ' ' GLY . 77.5 m95 -21.52 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 272' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' B' ' 506' ' ' SER . 5.7 m120 -44.66 -25.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 273' ' ' LYS . . . . . 1.249 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 2.5 mptm? -100.0 -7.66 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 274' ' ' ILE . . . . . 0.585 ' N ' ' O ' ' A' ' 271' ' ' TRP . 18.4 mm -103.2 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 275' ' ' LEU . . . . . 0.722 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 276' ' ' SER . . . . . 1.314 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.3 t 141.95 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.578 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 1.249 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.7 t80 -30.92 43.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 278' ' ' LYS . . . . . 1.314 ' N ' ' O ' ' A' ' 276' ' ' SER . 36.2 tptt -107.66 80.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.631 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.8 mt 54.22 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.65 -135.17 0.0 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.523 -179.848 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 302' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 44.1 t . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -42.8 -51.18 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.32 -34.16 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.464 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 305' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 302' ' ' SER . 89.7 mt-30 -60.74 -49.03 79.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.26 -40.63 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.94 -40.84 95.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.353 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 308' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 38' ' ' LEU . 84.4 m -68.07 -37.21 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 309' ' ' ALA . . . . . 0.708 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.22 -42.09 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.397 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.31 -38.45 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.385 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.28 -33.66 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.2 tp -68.83 -43.7 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 313' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' B' ' 313' ' ' MET . 0.0 OUTLIER -64.42 -25.55 68.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.434 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.35 -12.31 58.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 315' ' ' ARG . . . . . 0.541 HH11 ' HG2' ' B' ' 315' ' ' ARG . 66.5 mtt-85 -100.06 -46.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.59 147.7 95.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.65 128.45 21.12 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.768 2.312 . . . . 0.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -71.48 -4.05 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.854 2.369 . . . . 0.0 112.06 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -80.53 -17.8 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -123.94 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 63.4 mt -63.4 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.76 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.534 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -54.66 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -54.69 -55.76 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.468 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.469 HD12 HG11 ' B' ' 343' ' ' VAL . 4.2 tt -47.14 -48.9 23.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.17 -49.68 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.37 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 327' ' ' ASP . . . . . 0.461 ' CG ' HD12 ' A' ' 16' ' ' ILE . 54.5 m-20 -62.39 -40.73 97.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.426 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 328' ' ' LEU . . . . . 0.708 HD21 ' HB1' ' B' ' 309' ' ' ALA . 55.9 tp -55.56 -40.99 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.498 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.48 -41.23 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.74 -37.96 74.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.24 -29.06 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.441 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.55 84.6 9.05 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.456 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.07 -5.59 15.09 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.752 2.301 . . . . 0.0 112.046 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 63.9 m -89.3 -6.46 56.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.458 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.0 mt -119.03 20.84 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 336' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.2 p -64.04 -55.95 18.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.564 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 97.6 mt-10 -60.35 -50.4 73.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.535 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.75 -36.13 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 339' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 67.9 mt -79.11 -28.62 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.9 mt -81.44 12.36 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 56.3 p -144.09 -3.67 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.7 t -119.41 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 343' ' ' VAL . . . . . 0.469 HG11 HD12 ' B' ' 325' ' ' LEU . 81.5 t -105.86 120.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -87.86 128.64 35.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.23 165.94 28.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 125.31 5.91 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.817 2.345 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 347' ' ' LEU . . . . . 0.476 HD21 HD11 ' B' ' 451' ' ' ILE . 95.9 mt -66.71 122.5 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -88.65 148.8 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.418 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.9 tt -102.95 136.34 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 350' ' ' ALA . . . . . 0.731 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.34 143.35 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.627 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.968 ' O ' ' N ' ' B' ' 356' ' ' GLY . 62.5 t0 -111.9 81.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 353' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.7 mttt -37.21 -63.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 66.3 t -39.49 -52.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.1 t -92.97 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 356' ' ' GLY . . . . . 0.968 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.71 70.47 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.12 154.89 28.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 358' ' ' ASP . . . . . 0.731 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 91.6 m-20 -94.68 143.08 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 39.3 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.25 156.63 38.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 1.038 HD23 ' H ' ' B' ' 362' ' ' CYS . 0.6 OUTLIER -108.57 158.56 17.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 362' ' ' CYS . . . . . 1.038 ' H ' HD23 ' B' ' 361' ' ' LEU . 29.5 p -168.23 168.62 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.4 p-10 -75.44 -10.29 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.648 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 364' ' ' TYR . . . . . 0.479 ' HB2' HG11 ' B' ' 431' ' ' VAL . 99.3 m-85 -88.38 -18.23 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.463 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 365' ' ' ASN . . . . . 0.765 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 38.3 p-10 -123.16 24.74 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -119.99 129.93 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -122.22 99.53 6.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.08 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.3 8.75 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 370' ' ' SER . . . . . 1.101 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.35 161.36 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 371' ' ' TYR . . . . . 1.101 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.0 OUTLIER -118.32 150.78 38.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 372' ' ' ARG . . . . . 0.596 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 11.9 ttm180 -98.76 124.75 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 373' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 10.5 t -79.65 133.81 58.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.89 -14.8 19.16 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.88 2.387 . . . . 0.0 112.216 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 375' ' ' TRP . . . . . 0.406 ' HE1' ' HB3' ' B' ' 359' ' ' TYR . 52.4 m95 -85.9 -66.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 77.8 p -83.14 -18.61 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 377' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' B' ' 373' ' ' SER . 53.3 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -141.6 137.9 32.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 379' ' ' TYR . . . . . 1.101 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 32.6 m-85 -65.7 140.42 58.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.622 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 380' ' ' ASP . . . . . 0.75 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.97 -60.4 6.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.396 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 381' ' ' PRO . . . . . 1.101 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.2 Cg_exo -65.43 119.97 7.09 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.54 79.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.98 2.453 . . . . 0.0 112.239 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.54 177.55 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 384' ' ' GLU . . . . . 0.584 ' H ' HD23 ' B' ' 383' ' ' LEU . 98.5 mt-10 -111.64 -72.16 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -116.99 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.15 151.74 47.49 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 387' ' ' ALA . . . . . 0.505 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.96 127.27 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.628 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.3 ptp -132.31 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.87 150.75 49.96 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.797 2.331 . . . . 0.0 112.18 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.2 m -52.76 142.96 17.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.61 -43.79 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -67.91 -37.81 82.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -55.35 -36.79 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -63.53 -46.59 85.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.33 -32.03 73.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.319 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -67.79 -38.08 82.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.02 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.78 -36.97 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.332 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.92 94.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.411 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 401' ' ' ASN . 55.7 t-20 -63.94 -39.05 93.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.345 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.08 -40.36 68.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.04 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.25 -29.28 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.453 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 405' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 405' ' ' ASP . 65.4 t0 -54.61 -38.86 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -77.06 -32.9 57.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.78 -18.63 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 408' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 9.7 ptt180 -83.79 -35.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 409' ' ' ASP . . . . . 0.481 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 95.6 m-20 -85.14 -8.93 58.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.595 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 410' ' ' LEU . . . . . 0.681 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 52.0 mt -95.84 -17.96 20.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 411' ' ' TYR . . . . . 0.724 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.86 -38.06 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.552 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 68.4 m-85 -100.6 -25.95 13.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 413' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.0 mt-10 63.55 24.32 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.75 -154.46 25.42 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.37 -163.44 52.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 19.5 t -128.71 153.72 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 38.4 t -143.6 148.48 35.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 23.3 m -148.21 143.95 27.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.88 130.24 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.715 ' C ' HD12 ' B' ' 421' ' ' LEU . 60.7 m-85 -128.4 132.42 48.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.715 HD12 ' C ' ' B' ' 420' ' ' TYR . 11.2 mp -119.66 158.43 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.708 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 422' ' ' TRP . . . . . 0.928 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.7 p-90 -154.51 110.55 3.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -43.03 159.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 424' ' ' LEU . . . . . 0.466 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.0 tp -127.85 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 425' ' ' ASP . . . . . 0.466 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 68.0 t0 -87.32 -49.84 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -129.8 30.71 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.65 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 429' ' ' ALA . . . . . 0.928 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -124.01 172.87 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 430' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.15 161.67 35.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.08 126.41 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.508 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.5 mp -103.32 113.64 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.604 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' B' ' 450' ' ' SER . 47.9 mt -102.88 143.19 32.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 434' ' ' ILE . . . . . 0.478 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.68 119.88 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -122.57 127.51 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 436' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.14 119.59 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.21 40.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.627 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.15 179.48 45.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.68 128.07 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.879 0.371 . . . . 0.0 110.522 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.83 75.75 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 89.0 p -110.42 -4.27 15.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 0.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.532 ' HZ2' ' HB3' ' C' ' 644' ' ' ASP . 55.1 mmtt -89.14 153.91 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -56.91 -43.8 81.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 444' ' ' ILE . . . . . 0.645 HG22 ' OG1' ' B' ' 479' ' ' THR . 9.5 pt -95.15 135.95 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -105.77 154.71 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.74 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 76.5 m -149.47 130.65 14.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 448' ' ' TRP . . . . . 0.539 ' CZ2' HG21 ' B' ' 473' ' ' VAL . 6.4 t-105 -114.81 116.23 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 449' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 4.6 m-20 -109.47 127.24 54.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.234 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 450' ' ' SER . . . . . 0.478 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.94 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.945 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 451' ' ' ILE . . . . . 0.476 HD11 HD21 ' B' ' 347' ' ' LEU . 45.4 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.254 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.2 m-70 -108.67 132.41 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.82 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 78.0 t -128.71 95.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.22 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 454' ' ' VAL . . . . . 0.424 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.9 p -96.7 153.59 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 455' ' ' GLU . . . . . 0.424 ' N ' HG22 ' B' ' 454' ' ' VAL . 95.6 mt-10 -131.82 102.25 5.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.338 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 456' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' B' ' 467' ' ' TYR . 63.3 t -79.08 139.64 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -123.52 68.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.447 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 458' ' ' GLU . . . . . 0.475 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 82.4 tt0 -40.28 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.632 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 459' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' B' ' 464' ' ' THR . 88.3 tttt -109.35 142.01 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.04 -54.09 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.77 146.52 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 462' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.36 -12.75 47.88 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 69.4 mtm-85 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 464' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.8 t -82.28 123.64 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 465' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.71 151.86 32.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -92.96 126.57 38.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 467' ' ' TYR . . . . . 0.41 ' CE2' HG22 ' B' ' 456' ' ' VAL . 88.5 m-85 -103.14 139.49 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.89 86.12 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 469' ' ' LEU . . . . . 0.778 HD12 ' H ' ' B' ' 470' ' ' THR . 29.4 tp -82.13 157.56 24.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 470' ' ' THR . . . . . 0.778 ' H ' HD12 ' B' ' 469' ' ' LEU . 80.7 m -157.84 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.105 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 471' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 64.6 p -64.63 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.092 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 472' ' ' THR . . . . . 0.467 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.73 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.143 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 473' ' ' VAL . . . . . 0.539 HG21 ' CZ2' ' B' ' 448' ' ' TRP . 7.7 p -69.74 143.79 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 474' ' ' MET . . . . . 0.535 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.6 ttt -124.78 96.01 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.166 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 475' ' ' LEU . . . . . 0.617 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.1 tp -86.64 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 130.31 51.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 29.4 mt -137.43 124.67 21.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.743 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.19 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 479' ' ' THR . . . . . 0.645 ' OG1' HG22 ' B' ' 444' ' ' ILE . 72.8 m -163.44 127.46 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.642 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 480' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.15 73.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttm -107.61 146.68 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 53.0 p -57.28 -46.03 83.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 483' ' ' GLY . . . . . 0.474 ' H ' ' HG2' ' B' ' 481' ' ' LYS . . . -63.55 -25.33 68.66 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 484' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 486' ' ' THR . 34.7 p -125.88 14.83 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 110.607 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.59 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 486' ' ' THR . . . . . 0.446 ' N ' ' O ' ' B' ' 484' ' ' SER . 12.6 p -125.97 113.97 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.499 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 22.8 ttp -125.09 118.07 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -118.98 123.98 45.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 489' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.8 tp -131.66 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.87 21.78 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 491' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.67 11.08 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 492' ' ' SER . . . . . 0.718 ' C ' HD22 ' B' ' 493' ' ' LEU . 24.7 t 163.27 135.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 493' ' ' LEU . . . . . 0.718 HD22 ' C ' ' B' ' 492' ' ' SER . 4.1 mm? -110.59 149.45 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 494' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 56.6 m -127.09 142.84 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -149.91 128.69 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.701 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 496' ' ' GLN . . . . . 0.609 ' N ' ' NE2' ' B' ' 496' ' ' GLN . 1.4 mp0 -92.82 160.59 14.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 27.3 ttt -160.09 130.44 5.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 498' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.6 pm0 -133.53 141.61 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -172.21 145.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 500' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.1 p-10 -91.31 125.23 36.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.66 160.18 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.26 131.82 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.62 122.42 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 92.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.94 -35.87 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 506' ' ' SER . . . . . 0.586 ' O ' ' ND2' ' A' ' 272' ' ' ASN . 78.1 p -83.63 -19.81 34.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 18.3 t -135.51 73.45 62.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 508' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.2 Cg_exo -72.54 -172.6 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.8 2.333 . . . . 0.0 112.171 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -58.77 -62.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 67.4 mt -42.77 -48.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 511' ' ' ALA . . . . . 0.476 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -55.03 -49.24 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.585 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.97 -48.17 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.06 -33.63 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.599 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 514' ' ' GLY . . . . . 0.626 ' HA3' ' CE2' ' A' ' 271' ' ' TRP . . . -66.71 -46.54 74.6 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -57.38 -44.36 84.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.692 0.282 . . . . 0.0 110.675 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.24 -52.46 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.543 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.45 -47.24 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.621 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -57.87 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 519' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.4 t0 -63.56 -37.43 87.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.739 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.6 tpp -64.44 -49.38 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 521' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 524' ' ' ILE . 5.4 tp10 -62.61 -45.29 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.705 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 522' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 28.5 t-20 -56.88 -41.44 78.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.58 -38.52 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 524' ' ' ILE . . . . . 0.481 ' O ' HD23 ' B' ' 528' ' ' LEU . 2.4 tp -74.35 -24.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 525' ' ' ARG . . . . . 0.649 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.63 66.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 526' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.0 t -85.02 -38.77 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.694 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 11.8 m -66.0 -35.77 81.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 528' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 3.0 mm? -65.01 -42.31 94.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 529' ' ' ASN . . . . . 0.651 ' ND2' ' CE1' ' A' ' 255' ' ' PHE . 10.8 m120 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.645 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.38 -54.47 7.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.39 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 532' ' ' TYR . . . . . 0.749 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 6.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 533' ' ' PHE . . . . . 0.64 ' HB3' ' OG ' ' A' ' 251' ' ' SER . 0.2 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.08 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 535' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' B' ' 536' ' ' THR . 8.7 ttmm -56.93 -68.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.461 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.6 m -34.73 -58.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -50.37 -53.26 30.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -53.21 -44.93 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 539' ' ' ILE . . . . . 0.598 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 35.2 mm -61.77 -36.06 71.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.42 -42.0 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.71 -17.23 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.39 -27.4 48.28 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.6 mt -68.07 -51.46 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.747 0.308 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 544' ' ' ARG . . . . . 0.762 ' HG2' ' H ' ' B' ' 545' ' ' SER . 24.4 ttt180 -141.8 170.09 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.697 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 545' ' ' SER . . . . . 0.762 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 11.2 t -142.2 137.87 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 546' ' ' ILE . . . . . 0.418 HG13 ' N ' ' B' ' 547' ' ' ASP . 9.6 pt -69.05 -43.49 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 547' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 547' ' ' ASP . 50.6 p-10 -82.88 138.59 33.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.06 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 551' ' ' ASP . 18.8 mt -79.44 112.67 30.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.4 Cg_exo -46.48 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.897 2.398 . . . . 0.0 112.077 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.573 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.28 145.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.63 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 552' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 31.5 p30 -129.88 116.19 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.29 -24.8 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.651 ' HG3' ' H ' ' B' ' 555' ' ' TYR . 12.9 ptmt -52.56 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 555' ' ' TYR . . . . . 0.651 ' H ' ' HG3' ' B' ' 554' ' ' LYS . 91.4 t80 -45.16 -56.67 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.53 -46.91 83.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.88 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.8 -30.31 51.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -73.58 -36.39 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -58.15 -40.55 81.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 561' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 565' ' ' VAL . 11.9 tm-20 -67.79 -61.77 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.721 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.887 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 51.9 tp -49.04 -40.67 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.675 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 66.4 m -61.22 -76.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 563' ' ' SER . 99.3 mm-40 -36.78 -13.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.887 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.5 t -72.14 -42.71 67.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 563' ' ' SER . 53.5 mt -81.47 -35.6 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.6 p -70.23 -19.6 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -117.58 6.66 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 569' ' ' ARG . . . . . 0.942 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 1.0 OUTLIER -160.94 -141.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 570' ' ' GLN . . . . . 0.942 ' HB3' ' O ' ' B' ' 569' ' ' ARG . 0.0 OUTLIER 139.74 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 571' ' ' ILE . . . . . 0.815 HG22 ' O ' ' B' ' 570' ' ' GLN . 3.1 tp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 601' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' C' ' 601' ' ' MET . 4.8 mpp? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.98 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 603' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' C' ' 604' ' ' LYS . 36.2 p-10 -49.76 -37.87 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 604' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' C' ' 603' ' ' ASP . 97.9 mttt -69.73 -52.17 27.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -55.08 -28.95 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -75.68 -53.63 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 607' ' ' MET . . . . . 0.516 ' HG2' HD11 ' C' ' 632' ' ' LEU . 9.5 mtt -72.74 -36.83 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -56.82 -15.97 5.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 609' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.65 13.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 610' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' C' ' 610' ' ' LEU . 4.0 mt -66.23 1.97 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 611' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' C' ' 609' ' ' ALA . 87.8 tttt -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.35 -4.24 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 613' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.0 21.87 58.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 614' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' C' ' 616' ' ' ASP . 7.4 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.515 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 615' ' ' LEU . . . . . 0.957 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.7 tm? -45.0 -17.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 616' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.9 m-20 -77.68 -27.54 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 617' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 614' ' ' ASP . 54.7 mm-40 -81.44 -49.91 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 618' ' ' VAL . . . . . 0.527 ' CG1' HD22 ' C' ' 615' ' ' LEU . 7.8 p -62.85 -28.35 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.581 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 619' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 54.4 tttp -66.2 -21.86 66.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 620' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.2 t0 -75.38 -45.39 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 621' ' ' TYR . . . . . 0.508 ' CE2' ' OD2' ' C' ' 627' ' ' ASP . 53.1 t80 -60.98 -59.17 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -27.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.561 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 623' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.73 -16.76 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.78 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 625' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.89 82.35 0.1 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 626' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' C' ' 625' ' ' GLY . 5.1 pt-20 34.24 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 627' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' C' ' 621' ' ' TYR . 45.7 p30 -141.02 62.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 628' ' ' VAL . . . . . 0.773 ' O ' HG23 ' C' ' 628' ' ' VAL . 20.1 m -122.0 76.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -173.04 5.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 630' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' C' ' 630' ' ' ARG . 80.0 mtt-85 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 631' ' ' THR . . . . . 0.498 ' O ' ' C ' ' C' ' 632' ' ' LEU . 68.2 p -82.08 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 632' ' ' LEU . . . . . 0.516 HD11 ' HG2' ' C' ' 607' ' ' MET . 15.3 tp -31.3 -88.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.413 ' OE2' ' OH ' ' C' ' 641' ' ' TYR . 95.8 mt-10 -71.69 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 634' ' ' GLY . . . . . 0.402 ' H ' HH11 ' A' ' 260' ' ' ARG . . . -153.65 -11.39 0.07 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 635' ' ' GLY . . . . . 0.528 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 636' ' ' ARG . . . . . 0.723 ' NE ' ' NZ ' ' A' ' 256' ' ' LYS . 19.0 ttm180 -127.88 164.95 21.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 637' ' ' LYS . . . . . 0.522 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.45 157.01 37.64 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.66 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.862 2.374 . . . . 0.0 112.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 639' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.73 -16.31 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 640' ' ' HIS . . . . . 0.549 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 33.4 t-80 -75.21 -43.88 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 641' ' ' TYR . . . . . 0.622 ' CE2' ' NH1' ' C' ' 636' ' ' ARG . 25.6 m-85 -71.7 -36.0 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.483 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 642' ' ' ALA . . . . . 0.669 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -45.01 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.46 62.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 644' ' ' ASP . . . . . 0.549 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 75.3 m-20 -60.6 -35.67 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.532 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 645' ' ' CYS . . . . . 0.48 ' SG ' ' NZ ' ' B' ' 442' ' ' LYS . 2.2 p -160.91 65.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 646' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.05 34.1 4.46 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 647' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.9 mt-30 51.68 4.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 648' ' ' LEU . . . . . 0.965 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 6.97 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.587 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -115.72 -12.6 11.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.55 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 1.074 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.27 -52.96 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 652' ' ' GLU . . . . . 0.747 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 66.9 mm-40 -56.2 -22.62 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.87 -97.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 654' ' ' LEU . . . . . 1.018 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.43 6.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 15.5 tp -102.91 -47.94 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.27 -25.38 64.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -72.75 -90.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 658' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.28 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 659' ' ' ALA . . . . . 0.693 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.506 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 660' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.44 10.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 661' ' ' ILE . . . . . 0.693 ' H ' ' C ' ' C' ' 659' ' ' ALA . 3.1 tp -66.02 1.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 662' ' ' ASN . . . . . 1.112 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.9 p30 -163.65 -18.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 663' ' ' ALA . . . . . 0.77 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.18 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 664' ' ' PRO . . . . . 1.112 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.2 Cg_exo -46.95 120.83 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.902 2.402 . . . . 0.0 112.106 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 665' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 26.9 p-10 -125.93 -50.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 666' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 32.9 ttmt -78.89 -16.11 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 667' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.2 m80 -80.49 -6.25 57.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 669' ' ' ILE . . . . . 0.491 HG22 ' O ' ' C' ' 667' ' ' HIS . 16.1 tt -176.91 147.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.494 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 670' ' ' THR . . . . . 0.416 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.71 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 671' ' ' PRO . . . . . 0.487 ' O ' ' OG ' ' C' ' 674' ' ' SER . 53.2 Cg_endo -72.52 -30.49 12.18 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.82 2.346 . . . . 0.0 112.11 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 672' ' ' LEU . . . . . 0.742 HD23 ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.32 -49.11 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.517 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 673' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.2 mp -67.88 -27.79 66.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.529 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 674' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' C' ' 677' ' ' TYR . 17.7 p -51.77 -40.9 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 675' ' ' ALA . . . . . 0.414 ' HB3' HG12 ' C' ' 684' ' ' VAL . . . -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 676' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.8 t -47.13 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 677' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' C' ' 674' ' ' SER . 33.7 p90 -77.89 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -124.56 -28.64 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.23 -11.35 72.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 5.9 m-70 -71.9 -53.56 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 681' ' ' VAL . . . . . 0.722 ' O ' HG22 ' C' ' 684' ' ' VAL . 1.4 t 43.28 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.626 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.38 -24.31 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 684' ' ' VAL . . . . . 0.722 HG22 ' O ' ' C' ' 681' ' ' VAL . 2.3 m -41.89 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 685' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' C' ' 687' ' ' LEU . 53.9 tttp -62.55 -73.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 1.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 687' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' C' ' 661' ' ' ILE . 24.0 tp -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.62 -21.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.3 m -55.71 -21.6 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -99.64 -6.24 27.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.76 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 692' ' ' ALA . . . . . 0.552 ' HB2' HG12 ' C' ' 661' ' ' ILE . . . 24.2 18.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 44.2 t0 33.16 -128.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.581 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 694' ' ' LYS . . . . . 0.531 ' HG3' HG22 ' C' ' 695' ' ' THR . 62.6 pttt -152.56 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 695' ' ' THR . . . . . 0.663 ' O ' HG23 ' C' ' 695' ' ' THR . 8.2 t -156.57 73.48 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.41 -29.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -140.12 23.6 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.74 20.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 699' ' ' PRO . . . . . 0.644 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.76 -27.74 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.813 2.342 . . . . 0.0 112.184 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 700' ' ' ASP . . . . . 0.644 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 3.8 m-20 157.73 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 701' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' C' ' 705' ' ' LEU . . . -84.85 0.39 89.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 702' ' ' LEU . . . . . 0.636 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.81 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 703' ' ' THR . . . . . 0.869 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 14.5 p 16.23 -95.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 704' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.63 -18.63 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 705' ' ' LEU . . . . . 0.597 ' HB3' ' O ' ' C' ' 701' ' ' GLY . 2.7 tt -62.88 -75.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.609 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.8 15.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.51 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 707' ' ' ALA . . . . . 0.869 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 54.9 p -139.79 -142.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -148.86 -4.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -72.61 151.82 42.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -71.51 -20.52 62.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.19 -60.39 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.01 -37.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -52.07 -29.89 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.26 14.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 716' ' ' LEU . . . . . 0.827 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 717' ' ' LEU . . . . . 0.827 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 0.8 OUTLIER 124.15 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 718' ' ' GLN . . . . . 0.72 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 4.9 tp-100 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 7' ' ' ARG . 74.3 mtt-85 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.07 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.782 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.9 p -45.93 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 14' ' ' VAL . 98.9 m-20 -64.98 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.57 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.47 -39.33 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -67.57 -40.95 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.634 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -63.69 -35.9 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.2 t -65.22 -43.81 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.52 -39.74 92.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.44 -47.36 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.95 75.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.56 75.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.97 -41.34 91.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -65.14 -44.86 87.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.678 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.66 -46.46 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -75.99 8.4 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.71 15.33 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.96 81.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.21 167.48 21.9 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.844 2.363 . . . . 0.0 112.037 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 47.2 Cg_endo -70.87 116.15 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.785 2.323 . . . . 0.0 112.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.44 35.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.537 ' OE1' ' NH1' ' B' ' 315' ' ' ARG . 42.6 mt-10 -149.27 37.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -73.99 -48.76 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -57.04 -57.44 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.547 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 41.4 mp0 -44.47 -54.46 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.0 t -60.74 -42.57 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 37.2 t80 -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.06 -37.87 81.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.13 -42.03 96.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 32' ' ' VAL . 90.2 t -67.07 -41.9 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.611 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.27 -54.86 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.2 mm? -59.29 -34.78 72.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.26 -49.69 26.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.77 -32.57 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.7 t30 46.56 49.76 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.539 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 28.2 t-20 -168.69 79.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -51.86 -37.89 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -54.18 -44.22 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.8 mt -77.2 -30.86 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.531 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.4 tp -62.77 -38.66 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.18 -35.61 80.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.566 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -40.95 -59.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.69 0.92 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.12 -56.81 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.46 87.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.33 -36.97 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.631 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.46 -54.45 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.53 -56.59 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.64 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.4 tp60 -33.6 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -59.99 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -46.97 -30.93 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.1 ttp -68.9 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.85 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.7 mm-40 -124.56 24.8 7.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.87 44.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.489 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' GLN . 24.1 m -58.8 111.36 3.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.7 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.92 2.413 . . . . 0.0 112.182 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.4 p -109.38 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.63 ' N ' HG22 ' A' ' 65' ' ' VAL . 23.4 ttpp -125.2 103.97 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.526 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.887 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.56 148.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.887 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.535 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.41 75.16 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.788 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.49 14.78 2.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.631 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.606 ' C ' ' O ' ' A' ' 70' ' ' TYR . 31.6 t70 20.17 39.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 1.072 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.4 OUTLIER -98.77 19.39 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.706 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.0 mm100 -0.24 50.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.487 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.072 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.72 ' N ' HG22 ' A' ' 74' ' ' VAL . 47.4 mt -113.36 152.31 30.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.05 105.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.18 -176.91 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.83 -31.27 45.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.455 ' CE1' HD13 ' A' ' 155' ' ' ILE . 80.3 m-70 -64.03 -23.54 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.64 50.51 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.52 100.03 11.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.344 . . . . 0.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -49.66 -51.48 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.74 25.36 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -116.04 1.19 13.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.825 0.345 . . . . 0.0 110.634 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.23 -15.79 9.3 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' A' ' 107' ' ' ASP . 14.7 mtt-85 -108.4 168.74 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.1 m-85 -114.57 -170.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.9 tp -118.31 157.32 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.706 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.0 t0 -139.29 89.0 12.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.8 Cg_endo -60.96 -36.7 81.77 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.855 2.37 . . . . 0.0 112.022 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -59.47 -75.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.676 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 t-20 -76.53 -20.34 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.51 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 29.1 mttp 62.77 62.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.648 HD13 ' OD1' ' A' ' 92' ' ' ASN . 23.5 pt -146.43 154.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.829 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.5 t -92.64 132.99 36.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.8 p90 -140.1 136.68 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.459 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.687 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 73.7 tttt -88.73 113.42 24.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.896 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 47.9 t80 -82.71 133.1 35.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 102' ' ' ARG . 8.7 t70 -104.51 90.07 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.581 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.461 ' CB ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.44 -67.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 101' ' ' LEU . 11.0 mp -47.52 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 99' ' ' ASP . 86.7 mtm180 -52.8 156.32 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -88.94 2.37 53.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.862 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 63.3 m -95.56 -164.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.862 ' OD1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 73.72 54.54 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.829 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.2 Cg_endo -73.53 -177.82 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.801 2.334 . . . . 0.0 112.081 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.0 OUTLIER -160.09 124.56 2.11 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.483 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.18 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.86 2.373 . . . . 0.0 112.04 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -122.87 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -75.52 88.45 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.4 p -46.93 164.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.07 -30.08 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.94 35.62 1.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.677 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.5 tp -104.1 3.36 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.708 ' HZ2' HH21 ' A' ' 121' ' ' ARG . 10.6 mmpt? -53.97 -41.89 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 94.9 mt-30 -39.25 -55.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -62.54 -47.62 83.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.708 HH21 ' HZ2' ' A' ' 118' ' ' LYS . 5.5 tmm_? -53.91 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.568 ' C ' ' O ' ' A' ' 121' ' ' ARG . 99.6 m-20 -25.5 -45.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.99 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.424 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.2 t70 -40.38 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 31.6 m -48.02 -46.16 32.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.501 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.32 -51.41 34.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -72.84 -12.25 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.637 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.41 -32.7 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.631 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.602 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.74 -38.8 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 134' ' ' ASP . 93.8 t -74.72 -40.54 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 49.9 tttm -76.12 25.95 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.631 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.6 m-20 -147.55 7.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -151.07 -21.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' B' ' 544' ' ' ARG . 85.5 m-85 -114.66 106.43 52.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.58 -57.19 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.833 2.355 . . . . 0.0 112.045 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -127.57 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.91 163.62 12.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.585 ' HB2' HD21 ' A' ' 75' ' ' LEU . 55.5 m-85 -135.05 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 110.599 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.9 m -161.41 97.37 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 40.8 t -75.73 143.39 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.589 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 54.8 m-85 -120.21 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.73 84.56 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -123.81 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 38.4 t -107.61 115.39 30.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.541 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.499 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 20.5 mt -91.14 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.51 ' O ' ' OD2' ' A' ' 149' ' ' ASP . 4.4 p-10 46.64 54.18 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.73 4.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.78 129.84 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.651 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.657 ' H ' HG21 ' A' ' 181' ' ' ILE . 22.7 mt-30 -85.8 150.47 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.436 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.959 HG23 ' C ' ' A' ' 179' ' ' PHE . 99.2 m -155.21 146.23 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.53 110.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.403 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.589 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 85.5 mt -98.05 117.01 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.83 116.05 27.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 47.1 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.0 mt -122.71 137.69 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.253 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.37 151.91 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.986 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.744 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.91 121.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 161' ' ' HIS . . . . . 0.673 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.9 p-80 -140.64 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.992 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -148.63 77.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.207 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.673 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.4 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.45 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.3 tm0? -167.99 66.01 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.59 -52.18 4.16 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.839 2.36 . . . . 0.0 112.141 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -43.85 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.466 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.687 ' N ' ' O ' ' A' ' 165' ' ' PRO . 3.1 m120 -121.96 -10.5 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.46 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.813 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.4 m-85 70.07 80.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.813 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.7 p-90 158.8 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.96 162.32 33.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.86 163.15 29.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.579 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.8 ttp180 -165.69 136.7 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' TRP . . . . . 0.744 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.5 t-105 -107.61 138.91 42.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.83 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -125.35 152.27 44.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.179 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.474 ' HB2' ' NE1' ' A' ' 173' ' ' TRP . 1.0 OUTLIER -166.33 111.12 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.058 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.641 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 43.8 tt0 -116.41 124.7 50.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.076 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.689 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.9 m95 -120.59 116.87 26.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.953 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.56 119.8 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.959 ' C ' HG23 ' A' ' 153' ' ' THR . 34.9 m-85 -117.48 88.56 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.95 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 16.6 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' ILE . . . . . 0.82 ' O ' HG23 ' A' ' 182' ' ' THR . 9.6 tp -164.31 151.34 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.942 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.48 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 1.056 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 79.7 Cg_exo -34.33 12.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.416 2.744 . . . . 0.0 112.712 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' PRO . . . . . 0.942 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 61.6 Cg_endo -79.83 -4.29 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.855 2.37 . . . . 0.0 112.153 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' THR . . . . . 1.073 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.181 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.84 131.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.941 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 1.085 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 3.1 mp0 -106.73 -115.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.249 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.65 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' ALA . . . . . 0.764 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.8 111.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.49 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.77 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 192' ' ' LEU . . . . . 0.707 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 2.4 mp -85.57 157.83 20.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -150.33 147.78 28.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 2.3 mt -149.42 134.08 9.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.276 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.34 130.31 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.904 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.69 136.63 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.159 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 197' ' ' HIS . . . . . 0.773 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.4 t-160 -126.52 141.56 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.927 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 198' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.52 87.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.783 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.8 p90 -100.09 87.79 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.8 tt0 -129.46 52.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.334 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.9 m-20 114.82 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.401 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.68 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -172.84 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.02 129.13 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 31.5 mt-30 -136.73 154.16 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.542 HD12 ' O ' ' B' ' 488' ' ' ASN . 12.4 tp -122.32 87.16 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.6 t -89.98 122.19 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 53.3 p -149.58 147.2 27.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 209' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 209' ' ' HIS . 17.6 p-80 -157.84 145.13 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.19 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -135.46 129.01 32.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.866 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 211' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' A' ' 191' ' ' VAL . 65.7 m-20 -103.56 129.83 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 212' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 212' ' ' ILE . 2.0 mp -127.13 154.93 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.913 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -150.23 102.67 3.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 214' ' ' ASP . . . . . 0.647 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 35.2 t70 -118.83 166.1 13.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.72 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 215' ' ' SER . . . . . 1.085 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 83.6 p -117.79 103.39 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 216' ' ' VAL . . . . . 1.181 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.95 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 217' ' ' GLN . . . . . 1.073 ' HA ' ' O ' ' A' ' 185' ' ' THR . 84.1 mt-30 -102.68 128.03 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 218' ' ' VAL . . . . . 1.069 HG23 ' HB2' ' A' ' 186' ' ' ALA . 67.3 t -85.99 137.52 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.615 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.956 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.04 -98.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 220' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.24 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 221' ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.3 p-10 -86.82 -62.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.47 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 91.7 t -70.06 -24.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.95 -56.78 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.956 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.8 p -54.59 -36.93 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.431 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.58 -57.05 14.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.465 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.372 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -67.6 -38.8 84.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.414 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.437 ' CE1' HG11 ' A' ' 216' ' ' VAL . 37.7 m-85 -67.73 -53.92 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 229' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.19 -27.27 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -74.89 -36.75 62.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.337 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 231' ' ' ILE . . . . . 0.415 HD11 ' HB ' ' A' ' 216' ' ' VAL . 94.9 mt -67.52 -41.14 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 232' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' A' ' 236' ' ' GLU . 51.5 mt -70.12 -44.49 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.393 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 234' ' ' ASN . 4.5 tm-20 -57.06 -47.02 81.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.495 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 234' ' ' ASN . . . . . 0.434 ' OD1' ' OE1' ' A' ' 233' ' ' GLU . 99.0 m-20 -69.58 -43.93 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.86 61.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.475 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 236' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 232' ' ' ILE . 76.5 mm-40 -60.24 -44.09 95.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 237' ' ' ASN . . . . . 0.577 ' O ' HG23 ' A' ' 241' ' ' THR . 0.3 OUTLIER -60.09 -40.15 88.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.409 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -69.86 -34.22 73.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 239' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 243' ' ' ILE . 51.8 t80 -68.54 -44.41 74.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -68.14 -39.02 82.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 241' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 237' ' ' ASN . 17.5 p -61.42 -45.79 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 243' ' ' ILE . . . . . 0.492 HD11 ' CE2' ' A' ' 239' ' ' TYR . 40.5 mt -69.15 -47.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.552 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 39.0 t -60.66 -34.25 74.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.88 -42.93 84.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 246' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 250' ' ' MET . 7.6 m120 -62.13 -34.61 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.496 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 247' ' ' TYR . . . . . 0.586 ' CE2' ' NZ ' ' B' ' 537' ' ' LYS . 0.0 OUTLIER -64.92 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.28 -50.85 19.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 249' ' ' THR . . . . . 0.559 ' O ' ' HB ' ' A' ' 253' ' ' THR . 45.7 p -64.76 -34.84 79.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.574 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 250' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.2 ptp -72.88 -14.43 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.9 p -113.06 -10.06 13.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 252' ' ' ASP . . . . . 0.656 ' O ' ' OG1' ' A' ' 253' ' ' THR . 54.5 t0 -132.16 47.77 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 253' ' ' THR . . . . . 0.656 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.1 m 175.71 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 254' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 253' ' ' THR . 6.8 m -53.48 -61.3 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -47.65 -57.55 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -64.18 -11.76 33.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.23 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 95.4 mt -77.97 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 259' ' ' ARG . . . . . 0.685 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 2.9 ttt180 -98.65 174.47 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 260' ' ' ARG . . . . . 0.685 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 49.1 mtp180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -83.77 -11.21 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.66 133.27 3.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 263' ' ' PRO . . . . . 0.722 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.94 135.4 7.82 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.92 2.414 . . . . 0.0 112.098 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 264' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 265' ' ' THR . 10.5 p -37.75 -39.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 265' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 267' ' ' THR . 63.1 p -64.19 -5.42 4.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 85.6 mtm180 54.18 55.52 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.4 t 173.31 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 63.9 mttp -16.8 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.575 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 269' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.7 OUTLIER -50.37 158.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.81 ' O ' ' N ' ' A' ' 273' ' ' LYS . 84.2 m-20 -117.07 58.52 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 271' ' ' TRP . . . . . 0.61 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.0 m95 -21.44 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.654 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 272' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 270' ' ' ASP . 17.4 t-20 -44.6 -25.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 273' ' ' LYS . . . . . 1.22 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -100.0 -7.7 24.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.601 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 274' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 274' ' ' ILE . 58.8 mt -103.12 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.626 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 275' ' ' LEU . . . . . 0.717 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.7 mt -111.12 44.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 276' ' ' SER . . . . . 1.285 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.8 p 141.93 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 1.22 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.2 t80 -30.97 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 278' ' ' LYS . . . . . 1.285 ' N ' ' O ' ' A' ' 276' ' ' SER . 13.7 mptt -107.71 80.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.573 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 1.076 ' O ' ' O ' ' A' ' 280' ' ' GLY . 17.8 mm 54.26 3.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 280' ' ' GLY . . . . . 1.076 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.58 -135.16 0.0 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.525 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 302' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 28.9 t . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -42.71 -51.27 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -55.33 -34.13 63.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 305' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.72 -49.08 78.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.28 -40.6 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 99.2 m -68.2 -37.11 80.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 309' ' ' ALA . . . . . 0.72 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.351 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.34 -38.41 84.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.368 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.29 -33.68 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.364 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.75 -43.77 75.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.2 mmm -64.37 -25.62 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.394 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 315' ' ' ARG . . . . . 0.604 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.6 mtt-85 -100.11 -46.87 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.69 147.73 95.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.618 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.65 128.4 21.03 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.828 2.352 . . . . 0.0 112.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 318' ' ' PRO . . . . . 0.423 ' HA ' HG13 ' B' ' 321' ' ' ILE . 41.9 Cg_endo -71.41 -4.09 14.29 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.858 2.372 . . . . 0.0 112.079 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -80.53 -17.81 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -123.96 39.53 3.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 321' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' B' ' 318' ' ' PRO . 86.8 mt -63.38 -40.89 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 322' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' B' ' 322' ' ' GLU . 3.2 mp0 -59.68 -60.87 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.62 -54.39 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -54.71 -55.77 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.443 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.52 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 43.9 tp -47.12 -48.95 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.422 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.9 t -57.1 -49.68 75.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.33 -40.71 97.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 328' ' ' LEU . . . . . 0.72 HD21 ' HB1' ' B' ' 309' ' ' ALA . 49.1 tp -55.55 -41.07 72.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.486 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.45 -41.19 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.434 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -57.75 -38.02 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.25 -29.07 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.369 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.15 -5.54 15.04 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.708 2.272 . . . . 0.0 112.056 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 94.1 p -89.36 -6.38 56.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 99.0 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 336' ' ' CYS . . . . . 0.428 ' SG ' HD11 ' B' ' 340' ' ' LEU . 12.2 t -64.13 -55.85 18.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.35 -50.43 73.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.73 -36.16 73.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.488 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 61.3 mt -79.08 -28.64 43.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.56 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 340' ' ' LEU . . . . . 0.649 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.5 mt -81.49 12.41 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 52.9 p -144.12 -3.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.0 p -119.4 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.83 120.1 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -87.84 128.69 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.52 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.33 165.93 29.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.527 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.52 125.27 5.97 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.794 2.33 . . . . 0.0 112.124 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 347' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 347' ' ' LEU . 97.4 mt -66.63 122.48 17.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -88.64 148.82 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.447 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.9 pt -102.96 136.4 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.725 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 350' ' ' ALA . . . . . 0.733 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.72 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.439 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -114.36 143.29 45.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 68.1 t0 -111.86 81.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.512 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 66.5 mmtt -37.26 -62.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 98.0 t -39.52 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.0 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.17 24.66 70.74 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 357' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' B' ' 352' ' ' ASP . 29.2 tptt -115.03 154.88 28.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.598 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 358' ' ' ASP . . . . . 0.733 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 39.3 p30 -94.75 143.05 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.689 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.5 p90 -139.68 135.71 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 58.8 mt -69.17 156.61 38.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.479 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.9 mt -108.5 158.62 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 362' ' ' CYS . . . . . 0.649 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.5 p -168.26 168.62 11.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 363' ' ' ASP . . . . . 0.649 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.8 t70 -75.47 -10.27 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 364' ' ' TYR . . . . . 0.608 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 44.5 m-85 -88.37 -18.18 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 365' ' ' ASN . . . . . 0.649 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 35.1 p-10 -123.28 24.82 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 366' ' ' ARG . . . . . 0.487 HH22 HD13 ' B' ' 340' ' ' LEU . 30.6 ttp180 -119.93 129.86 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.2 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.02 -98.72 1.74 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.3 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.545 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 370' ' ' SER . . . . . 1.101 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.39 161.31 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 371' ' ' TYR . . . . . 1.083 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.6 m-85 -118.29 150.79 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 372' ' ' ARG . . . . . 0.588 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.0 ttp180 -98.71 124.69 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 373' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 32.9 t -79.53 133.76 59.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.9 -14.77 19.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.831 2.354 . . . . 0.0 112.223 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -85.85 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.4 p -83.17 -18.6 38.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 377' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' B' ' 373' ' ' SER . 6.5 t-20 70.27 40.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -141.56 137.89 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 379' ' ' TYR . . . . . 1.083 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 35.8 m-85 -65.72 140.47 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 380' ' ' ASP . . . . . 0.754 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -52.02 -60.42 6.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 381' ' ' PRO . . . . . 1.101 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.7 Cg_exo -65.42 120.03 7.16 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.001 2.467 . . . . 0.0 112.32 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.58 79.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.032 2.488 . . . . 0.0 112.233 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.57 177.55 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.52 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 384' ' ' GLU . . . . . 0.596 ' H ' HD23 ' B' ' 383' ' ' LEU . 97.4 mt-10 -111.66 -72.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -117.01 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.525 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 387' ' ' ALA . . . . . 0.513 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.98 127.26 30.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 0.0 110.632 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.6 mtm -132.23 148.6 70.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.98 150.76 49.34 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.746 2.298 . . . . 0.0 112.17 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 93.8 p -52.72 142.9 17.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -67.92 -37.81 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 52.9 tp -70.82 -42.49 70.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.488 ' NE ' ' OD1' ' B' ' 377' ' ' ASN . 43.4 ttm180 -55.29 -36.84 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -63.53 -46.57 85.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.336 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.37 -32.02 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 397' ' ' GLU . . . . . 0.567 ' CD ' HH22 ' B' ' 372' ' ' ARG . 43.0 tt0 -67.8 -38.04 82.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.06 -40.28 88.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -37.03 79.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.92 94.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.394 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 401' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.9 -39.07 93.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.367 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -72.13 -40.4 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.97 79.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.33 -29.2 66.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.416 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 405' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 23.4 m-20 -54.66 -38.85 67.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -77.03 -32.91 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 407' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 407' ' ' TYR . 2.0 t80 -69.74 -18.62 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 408' ' ' ARG . . . . . 0.601 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.2 OUTLIER -83.84 -35.48 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.547 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 409' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 9.7 t0 -85.2 -8.91 58.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 410' ' ' LEU . . . . . 0.674 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 46.4 mt -95.9 -17.87 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 411' ' ' TYR . . . . . 0.722 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.88 -38.08 3.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.547 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.6 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 63.47 24.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.52 25.5 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 415' ' ' GLY . . . . . 0.601 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.42 -163.49 52.91 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 15.5 t -128.66 153.69 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 19.8 p -143.52 148.52 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.701 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.3 m -148.22 143.97 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.397 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.83 130.26 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.808 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.551 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.2 m-85 -128.47 132.45 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.69 158.41 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.74 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 422' ' ' TRP . . . . . 0.975 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.6 p90 -154.48 110.53 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -43.01 159.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.633 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 424' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' B' ' 429' ' ' ALA . 56.7 mt -127.87 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 425' ' ' ASP . . . . . 0.434 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 98.0 m-20 -87.34 -49.88 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.74 30.69 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.68 -135.63 2.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 429' ' ' ALA . . . . . 0.975 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.97 172.8 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 430' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.76 35.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 431' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.4 p -130.13 126.36 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.33 113.67 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.3 mt -102.92 143.13 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 434' ' ' ILE . . . . . 0.459 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.65 119.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -122.56 127.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 436' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.2 tptm -137.17 119.67 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.536 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.17 40.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.12 179.48 45.25 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 439' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' B' ' 442' ' ' LYS . 62.6 m-20 -50.7 128.08 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.02 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 60.0 m -110.34 -4.28 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.618 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' B' ' 439' ' ' ASP . 0.0 OUTLIER -89.15 153.88 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.541 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -56.91 -43.82 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 444' ' ' ILE . . . . . 0.453 ' O ' ' HD3' ' B' ' 442' ' ' LYS . 12.8 tt -95.11 135.98 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.716 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.81 154.71 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.365 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.45 24.55 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 3.8 t -149.46 130.61 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.229 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 448' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.0 t-105 -114.77 116.25 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 449' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.47 127.19 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 450' ' ' SER . . . . . 0.6 ' OG ' ' CE1' ' B' ' 452' ' ' HIS . 1.2 t -115.89 122.72 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.0 mt -127.9 100.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.198 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 452' ' ' HIS . . . . . 0.6 ' CE1' ' OG ' ' B' ' 450' ' ' SER . 8.8 m-70 -108.71 132.49 53.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.825 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.7 t -128.74 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 454' ' ' VAL . . . . . 0.427 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.4 p -96.74 153.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 455' ' ' GLU . . . . . 0.427 ' N ' HG22 ' B' ' 454' ' ' VAL . 95.9 mt-10 -131.83 102.24 5.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 456' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' B' ' 467' ' ' TYR . 67.5 t -79.09 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.52 68.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.386 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 458' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 75.6 mt-10 -40.3 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 459' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.3 mmtp -109.33 142.04 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.96 -54.21 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.5 p -126.66 146.52 50.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.541 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 462' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.31 -12.79 48.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 59.16 -0.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.625 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 464' ' ' THR . . . . . 0.572 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.5 t -82.21 123.63 29.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 465' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.72 151.9 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.737 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 466' ' ' HIS . . . . . 0.52 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.7 t-160 -92.96 126.54 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 467' ' ' TYR . . . . . 0.419 ' CE2' HG22 ' B' ' 456' ' ' VAL . 88.6 m-85 -103.16 139.48 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.936 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -135.84 86.14 2.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 469' ' ' LEU . . . . . 0.753 HD12 ' H ' ' B' ' 470' ' ' THR . 34.9 tp -82.12 157.49 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 0.0 111.097 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 470' ' ' THR . . . . . 0.753 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.7 m -157.8 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.109 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 471' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 49.1 m -64.66 174.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.099 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 472' ' ' THR . . . . . 0.508 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.5 m -168.76 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.109 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 473' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.76 143.83 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 474' ' ' MET . . . . . 0.454 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.2 mtp -124.8 96.03 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.16 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 3.6 tp -86.7 131.19 34.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 476' ' ' TRP . . . . . 0.516 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 50.4 m95 -125.31 130.3 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.215 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 4.7 mp -137.36 124.68 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -138.22 158.1 44.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 3.6 m -163.42 127.48 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 480' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 89.1 m-20 -108.16 73.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 481' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' B' ' 485' ' ' GLY . 6.5 mmtt -107.56 146.6 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 20.2 m -57.24 -46.0 83.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.59 -25.3 68.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 484' ' ' SER . . . . . 0.454 ' O ' ' N ' ' B' ' 486' ' ' THR . 74.3 m -125.89 14.82 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.587 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 485' ' ' GLY . . . . . 0.878 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 486' ' ' THR . . . . . 0.454 ' N ' ' O ' ' B' ' 484' ' ' SER . 23.8 p -126.0 113.99 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.342 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 487' ' ' MET . . . . . 0.59 ' O ' ' SD ' ' B' ' 487' ' ' MET . 5.0 ppp? -125.14 118.05 25.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 488' ' ' ASN . . . . . 0.542 ' O ' HD12 ' A' ' 206' ' ' LEU . 34.0 t-20 -118.97 124.01 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 489' ' ' LEU . . . . . 0.452 ' HB2' HD13 ' A' ' 206' ' ' LEU . 13.2 tp -131.68 76.69 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.83 21.78 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 491' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.81 -142.64 11.08 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 492' ' ' SER . . . . . 0.645 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.5 p 163.25 135.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 494' ' ' THR . . . . . 0.508 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.6 m -127.11 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -149.98 128.76 12.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.643 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -92.81 160.54 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 47.1 ttp -160.05 130.42 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.52 141.62 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.24 145.83 1.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 500' ' ' ASP . . . . . 0.52 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 56.5 m-20 -91.31 125.21 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 501' ' ' GLU . . . . . 0.424 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.3 tt0 -120.72 160.22 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.6 m -94.3 131.86 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.66 122.37 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.3 p -142.99 -177.25 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.83 -35.91 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.61 -19.88 34.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 14.2 t -135.5 73.48 62.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.59 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.79 2.327 . . . . 0.0 112.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.75 -62.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.81 -49.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.98 -49.23 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 512' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.5 m-20 -62.99 -48.14 80.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.04 -33.67 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.64 -46.63 74.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.29 -44.32 83.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.24 -52.55 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.39 -47.25 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.88 -51.75 68.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.47 -37.59 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 25.1 tpp -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.53 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -56.93 -41.42 78.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.61 -38.49 73.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 93.4 mt -74.45 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 525' ' ' ARG . . . . . 0.447 ' CG ' HH11 ' B' ' 525' ' ' ARG . 1.5 ttt-85 -68.73 -27.59 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -85.07 -38.73 18.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.649 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 13.5 m -66.04 -35.79 81.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 528' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 46.4 mt -64.98 -42.38 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -68.53 -31.3 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.4 -54.45 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 531' ' ' ILE . . . . . 0.403 HD12 HG23 ' B' ' 531' ' ' ILE . 48.8 mm -64.41 -61.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 532' ' ' TYR . . . . . 0.688 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.3 m-85 -50.22 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 533' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.76 40.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 535' ' ' LYS . . . . . 0.497 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.3 tptm -56.93 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.546 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.445 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.9 m -34.78 -58.04 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 537' ' ' LYS . . . . . 0.586 ' NZ ' ' CE2' ' A' ' 247' ' ' TYR . 74.7 tttt -50.35 -53.24 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -53.26 -44.94 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 539' ' ' ILE . . . . . 0.458 HG21 HG13 ' A' ' 196' ' ' VAL . 91.2 mt -61.72 -36.05 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.42 -41.93 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -69.87 -17.11 63.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.46 -27.29 48.45 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.461 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.2 -51.45 45.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 544' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 8.5 ptm180 -141.78 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.683 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 545' ' ' SER . . . . . 0.509 ' CB ' HD11 ' B' ' 549' ' ' ILE . 35.8 t -142.19 137.91 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 546' ' ' ILE . . . . . 0.479 ' CD1' ' OD1' ' A' ' 237' ' ' ASN . 0.9 OUTLIER -69.1 -43.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -82.86 138.6 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.635 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 548' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.07 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 46.8 mm -79.5 112.75 31.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 550' ' ' PRO . . . . . 0.572 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.8 Cg_exo -46.58 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.867 2.378 . . . . 0.0 112.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.1 p-10 -25.28 145.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -129.91 116.17 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -85.3 -24.75 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.496 ' O ' HD13 ' B' ' 558' ' ' LEU . 64.1 mttp -52.55 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.74 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -57.5 -46.91 83.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.781 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -65.78 -29.7 70.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 558' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 554' ' ' LYS . 7.0 mp -77.78 -30.37 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -73.55 -36.37 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.15 -40.56 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.787 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 561' ' ' GLU . . . . . 0.589 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.2 mt-10 -67.87 -61.72 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.7 mt -49.03 -40.7 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.721 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 563' ' ' SER . . . . . 0.78 ' O ' ' N ' ' B' ' 565' ' ' VAL . 65.4 m -61.15 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.723 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.4 pt20 -36.74 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.13 -42.66 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.9 mt -81.5 -35.55 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.27 -19.6 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.58 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -117.53 6.69 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 569' ' ' ARG . . . . . 0.773 ' O ' ' HB2' ' B' ' 570' ' ' GLN . 21.2 ttm180 -161.02 -141.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 570' ' ' GLN . . . . . 0.866 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 50.1 tt0 139.8 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 571' ' ' ILE . . . . . 0.866 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 56.7 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 21.5 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 15.0 m 62.12 5.96 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -49.8 -37.83 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.521 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -69.67 -52.19 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -55.16 -28.91 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -75.62 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 607' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' C' ' 641' ' ' TYR . 38.7 ttp -72.79 -36.81 67.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -56.76 -16.01 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 609' ' ' ALA . . . . . 0.583 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.47 -50.63 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 610' ' ' LEU . . . . . 0.644 ' CD2' HG11 ' C' ' 618' ' ' VAL . 3.8 mt -66.29 1.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 611' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' C' ' 609' ' ' ALA . 7.0 tmtt? -102.08 -66.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.36 -4.26 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 613' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.07 21.84 58.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 614' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' C' ' 617' ' ' GLU . 2.6 t70 -63.87 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 110.555 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 615' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' C' ' 613' ' ' GLY . 1.8 pp -44.94 -18.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.584 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 616' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' C' ' 614' ' ' ASP . 5.0 p-10 -77.69 -27.56 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 617' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' C' ' 614' ' ' ASP . 45.7 tp10 -81.55 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.57 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 618' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' C' ' 610' ' ' LEU . 1.9 m -62.88 -28.39 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 619' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 88.4 tttt -66.16 -21.88 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 620' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 34.1 t70 -75.39 -45.44 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.96 -59.15 5.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.75 -27.86 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 623' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.75 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.656 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.78 -76.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.44 0.1 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 80.8 tt0 34.09 95.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 627' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 100.0 m-20 -140.94 62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.639 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 628' ' ' VAL . . . . . 0.511 HG21 ' H ' ' C' ' 658' ' ' GLY . 4.1 m -121.97 76.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 629' ' ' ASN . . . . . 0.402 ' H ' ' H ' ' C' ' 630' ' ' ARG . 65.8 t30 -173.01 5.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.705 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 630' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' C' ' 629' ' ' ASN . 26.8 mmt180 -79.02 166.83 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.535 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 631' ' ' THR . . . . . 0.507 ' O ' ' C ' ' C' ' 632' ' ' LEU . 43.5 p -82.04 87.65 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 632' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' C' ' 631' ' ' THR . 42.1 tp -31.23 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.506 ' OE1' ' NH2' ' C' ' 636' ' ' ARG . 78.0 tt0 -71.69 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.71 -11.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 635' ' ' GLY . . . . . 0.543 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.78 0.18 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 636' ' ' ARG . . . . . 0.506 ' NH2' ' OE1' ' C' ' 633' ' ' GLU . 80.2 mtm180 -127.93 164.88 21.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 637' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.61 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.88 2.387 . . . . 0.0 112.144 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 639' ' ' LEU . . . . . 0.622 HD22 ' OD1' ' C' ' 660' ' ' ASP . 1.1 tp -117.74 -16.3 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -75.29 -43.8 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 641' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' C' ' 607' ' ' MET . 0.9 OUTLIER -71.74 -35.93 70.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 642' ' ' ALA . . . . . 0.679 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.94 -45.0 75.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 643' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' C' ' 651' ' ' LEU . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 644' ' ' ASP . . . . . 0.498 ' O ' ' SG ' ' C' ' 645' ' ' CYS . 88.0 m-20 -60.6 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 645' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 18.9 m -160.88 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 646' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.07 4.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 647' ' ' GLN . . . . . 0.62 ' C ' ' HG ' ' C' ' 648' ' ' LEU . 0.7 OUTLIER 51.71 4.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 110.497 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 648' ' ' LEU . . . . . 0.976 HD13 ' OG ' ' C' ' 682' ' ' SER . 1.2 mt 71.65 6.94 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 649' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' C' ' 653' ' ' PHE . 97.5 mt-10 -115.75 -12.56 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 650' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' C' ' 653' ' ' PHE . 1.3 mm -87.56 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' C' ' 643' ' ' ALA . 1.4 tt -62.29 -52.98 61.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 652' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -56.19 -22.58 30.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 653' ' ' PHE . . . . . 0.974 ' O ' ' N ' ' C' ' 655' ' ' LEU . 4.5 m-85 -75.89 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 654' ' ' LEU . . . . . 0.505 ' N ' HD12 ' C' ' 654' ' ' LEU . 11.0 mp -41.33 6.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.637 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 655' ' ' LEU . . . . . 0.974 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.2 tt -102.97 -47.81 4.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 656' ' ' LEU . . . . . 0.595 ' N ' HD23 ' C' ' 655' ' ' LEU . 5.8 tp -59.32 -25.34 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -72.75 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 658' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.36 -109.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 659' ' ' ALA . . . . . 0.71 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.37 . . . . 0.0 110.578 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 660' ' ' ASP . . . . . 0.622 ' OD1' HD22 ' C' ' 639' ' ' LEU . 0.9 OUTLIER -57.45 10.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 661' ' ' ILE . . . . . 0.71 ' H ' ' C ' ' C' ' 659' ' ' ALA . 13.1 pt -66.0 1.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 662' ' ' ASN . . . . . 1.101 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 21.0 t30 -163.68 -18.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 663' ' ' ALA . . . . . 0.763 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.11 -33.67 0.28 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 664' ' ' PRO . . . . . 1.101 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 78.6 Cg_exo -46.96 120.82 4.46 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.829 2.353 . . . . 0.0 112.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -125.9 -50.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.81 -16.17 57.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 667' ' ' HIS . . . . . 0.543 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 39.1 m80 -80.46 -6.32 57.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 668' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' C' ' 668' ' ' HIS . 57.2 t-80 40.6 37.31 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.571 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 669' ' ' ILE . . . . . 0.408 HG22 ' O ' ' C' ' 667' ' ' HIS . 5.7 tt -176.93 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 670' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.15 168.7 10.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 671' ' ' PRO . . . . . 0.488 ' HA ' ' OG ' ' C' ' 674' ' ' SER . 44.2 Cg_endo -72.51 -30.47 12.25 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.832 2.354 . . . . 0.0 112.147 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 672' ' ' LEU . . . . . 0.593 ' CD1' ' HB1' ' C' ' 692' ' ' ALA . 8.2 mt -45.39 -49.06 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 673' ' ' LEU . . . . . 1.142 ' O ' ' CG2' ' C' ' 676' ' ' VAL . 43.5 mt -67.87 -27.75 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.585 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 674' ' ' SER . . . . . 0.488 ' OG ' ' HA ' ' C' ' 671' ' ' PRO . 25.0 m -51.83 -40.92 61.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 675' ' ' ALA . . . . . 0.432 ' HB3' ' CG2' ' C' ' 684' ' ' VAL . . . -74.54 -29.96 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.625 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 676' ' ' VAL . . . . . 1.142 ' CG2' ' O ' ' C' ' 673' ' ' LEU . 22.3 m -47.19 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 677' ' ' TYR . . . . . 0.922 ' H ' HG23 ' C' ' 676' ' ' VAL . 39.9 t80 -77.89 39.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -124.5 -28.72 3.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.26 -11.32 72.4 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 2.9 m80 -71.95 -53.57 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.25 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 682' ' ' SER . . . . . 0.976 ' OG ' HD13 ' C' ' 648' ' ' LEU . 0.2 OUTLIER -67.39 -24.31 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -48.63 6.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 684' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' C' ' 675' ' ' ALA . 48.5 t -41.91 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 685' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' C' ' 687' ' ' LEU . 65.6 tttm -62.59 -73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.88 1.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 687' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.7 OUTLIER -81.87 -70.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.598 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.65 -21.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 689' ' ' SER . . . . . 0.417 ' N ' ' C ' ' C' ' 687' ' ' LEU . 38.3 t -55.73 -21.61 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -99.63 -6.27 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.505 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 691' ' ' GLY . . . . . 1.086 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.89 0.42 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 692' ' ' ALA . . . . . 0.593 ' HB1' ' CD1' ' C' ' 672' ' ' LEU . . . 24.17 18.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 693' ' ' ASP . . . . . 1.086 ' N ' ' O ' ' C' ' 691' ' ' GLY . 88.0 m-20 33.2 -128.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -152.44 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.652 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 5.6 m -156.54 73.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 14.6 p -93.47 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -140.17 23.53 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.82 20.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 699' ' ' PRO . . . . . 0.647 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 77.8 Cg_exo -44.85 -27.72 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.824 2.349 . . . . 0.0 112.136 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 700' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 31.1 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 701' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.4 89.13 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.1 tt -53.86 -66.65 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.626 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 81.6 p 16.13 -95.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 704' ' ' ALA . . . . . 0.619 ' HB3' HD23 ' C' ' 717' ' ' LEU . . . -106.64 -18.61 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 705' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.2 tt -62.88 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -80.72 15.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 708' ' ' THR . . . . . 0.627 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.5 m -139.83 -142.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.583 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 709' ' ' ASP . . . . . 0.627 ' H ' HG22 ' C' ' 708' ' ' THR . 24.0 t70 -148.82 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -72.52 151.81 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.56 -20.46 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.38 3.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 713' ' ' ILE . . . . . 0.506 ' O ' HD13 ' C' ' 713' ' ' ILE . 0.3 OUTLIER -69.97 -37.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 714' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' C' ' 713' ' ' ILE . 30.2 ttmt -51.98 -30.01 23.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 716' ' ' LEU . . . . . 1.039 ' O ' ' HB3' ' C' ' 717' ' ' LEU . 1.1 tt -161.13 98.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 717' ' ' LEU . . . . . 1.039 ' HB3' ' O ' ' C' ' 716' ' ' LEU . 0.3 OUTLIER 124.15 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 718' ' ' GLN . . . . . 0.952 ' N ' HD12 ' C' ' 717' ' ' LEU . 11.9 pt20 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.621 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 8' ' ' VAL . 12.7 p -54.11 94.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -45.9 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.9 m-20 -64.91 -33.64 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -60.46 -39.34 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.55 -41.0 84.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.73 -35.89 82.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 10' ' ' ASP . 79.6 t -65.24 -43.79 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HE ' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.51 -39.75 92.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -47.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.448 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.574 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.93 -41.31 91.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.17 -44.9 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.47 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -76.01 8.43 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.1 m80 -123.71 15.34 9.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.5 146.96 81.55 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 12.7 Cg_exo -68.2 167.47 21.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.016 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.89 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.734 2.289 . . . . 0.0 112.12 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.09 21.56 35.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -149.37 37.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.536 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.94 -48.86 27.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.02 -57.38 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 43.9 mp0 -44.46 -54.51 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.0 t -60.79 -42.5 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 89.9 t80 -59.17 -50.88 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.09 -37.89 81.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.646 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.12 -42.05 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 32' ' ' VAL . 85.6 t -67.07 -41.83 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.6 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -56.39 -54.78 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.414 HD22 ' SG ' ' B' ' 308' ' ' CYS . 9.8 mp -59.32 -34.72 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.7 mt -73.27 -49.76 25.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD12 HD22 ' B' ' 331' ' ' LEU . 13.8 tp -61.76 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.475 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 66.4 t30 46.64 49.65 13.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.475 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 71.8 m-20 -168.62 79.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.9 -37.9 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -54.18 -44.16 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.26 -30.89 54.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 38.7 tp -62.68 -38.77 91.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.18 -35.58 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' OE1' HG21 ' A' ' 14' ' ' VAL . 77.1 tt0 -40.89 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.95 48.75 0.91 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -87.15 -56.79 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.614 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.53 87.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -54.26 -37.04 64.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.584 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.49 -54.41 12.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.7 m-30 -46.5 -56.61 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' ALA . 90.4 mm-40 -33.55 -45.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.03 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.0 -30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 81.8 mtp -68.84 -66.59 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.84 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 16.1 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.2 m-30 23.92 44.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.4 m -58.88 111.39 3.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.634 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.65 115.16 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.924 2.416 . . . . 0.0 112.196 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.648 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.8 p -109.39 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.648 ' N ' HG22 ' A' ' 65' ' ' VAL . 52.3 mttp -125.19 104.0 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.662 ' O ' ' C ' ' A' ' 68' ' ' GLU . 49.8 mt -51.63 148.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.662 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.5 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.1 m-85 -137.47 14.73 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.613 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 70' ' ' TYR . 96.9 m-20 20.19 39.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.519 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 1.071 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.4 t0 -98.75 19.45 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.701 ' C ' ' O ' ' A' ' 72' ' ' ASP . 0.9 OUTLIER -0.23 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.071 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.92 173.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.722 ' N ' HG22 ' A' ' 74' ' ' VAL . 54.8 mt -113.37 152.33 30.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -104.08 105.53 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.6 p -130.19 -176.89 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -78.82 -31.29 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -63.98 -23.57 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.18 15.62 50.67 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.46 100.07 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 tp -49.67 -51.5 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.69 25.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -116.14 1.27 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.83 9.33 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.618 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.33 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.562 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.523 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 52.4 m-85 -114.56 -170.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.8 tp -118.24 157.36 27.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.705 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 62.0 t0 -139.32 88.98 12.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.45 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.681 ' O ' ' NH1' ' A' ' 121' ' ' ARG . 11.2 Cg_endo -61.01 -36.64 81.67 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.855 2.37 . . . . 0.0 112.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.47 -75.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.455 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -76.48 -20.35 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 42.2 mttt 62.76 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.509 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 10.6 pt -146.45 154.46 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.819 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.6 t -92.68 133.0 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 30.1 p90 -140.11 136.65 33.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 59.9 tttm -88.7 113.45 24.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.876 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.4 t80 -82.73 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 102' ' ' ARG . 33.1 t0 -104.54 90.12 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -36.41 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.8 tp -47.44 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' A' ' 99' ' ' ASP . 8.9 tpp180 -52.78 156.37 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -88.94 2.31 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.876 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -95.54 -164.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.449 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 2.0 m-20 73.78 54.52 0.28 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.819 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.5 Cg_endo -73.51 -177.83 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.83 2.353 . . . . 0.0 112.068 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.812 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.1 OUTLIER -160.11 124.55 2.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.14 131.03 17.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.832 2.355 . . . . 0.0 112.052 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -122.92 102.51 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.9 p-10 -75.55 88.47 2.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.555 ' OG1' ' NZ ' ' A' ' 118' ' ' LYS . 15.6 p -46.93 164.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.9 35.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.81 -59.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.07 3.35 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.555 ' NZ ' ' OG1' ' A' ' 113' ' ' THR . 37.8 ttmt -54.03 -41.85 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 118' ' ' LYS . 74.0 mt-30 -39.25 -55.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -62.52 -47.64 83.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.844 ' HE ' ' N ' ' A' ' 122' ' ' ASP . 5.6 ttp180 -53.88 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.844 ' N ' ' HE ' ' A' ' 121' ' ' ARG . 66.2 t0 -25.45 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.11 -48.56 61.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.449 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 36.4 t70 -40.46 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -48.03 -46.11 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.498 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.36 -51.44 34.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.507 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.78 -12.24 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.614 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.79 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.65 -39.2 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.579 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 21.0 t80 -54.79 -38.8 67.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 134' ' ' ASP . 97.7 t -74.74 -40.53 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.456 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 28.4 tptt -76.16 25.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.541 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.7 m-20 -147.51 7.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.54 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.622 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 93.5 m-70 -151.01 -21.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.57 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 5.3 m-85 -114.65 106.5 52.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.589 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.8 Cg_exo -51.61 -57.23 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.773 2.315 . . . . 0.0 112.021 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -127.52 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.65 12.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 75' ' ' LEU . 47.2 m-85 -135.06 158.12 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.765 0.317 . . . . 0.0 110.582 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 86.7 m -161.4 97.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.532 HG12 ' HG3' ' A' ' 121' ' ' ARG . 43.1 t -75.72 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.63 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 92.8 m-85 -120.21 124.32 45.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.75 84.5 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.473 ' HG3' ' H ' ' A' ' 147' ' ' SER . 20.5 tptt -123.79 167.31 14.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.512 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.473 ' H ' ' HG3' ' A' ' 146' ' ' LYS . 54.0 p -107.51 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.2 104.13 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 42.4 t0 46.65 54.18 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.77 4.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.73 129.8 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.319 . . . . 0.0 110.684 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.649 ' H ' HG21 ' A' ' 181' ' ' ILE . 82.5 mm-40 -85.76 150.51 24.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.986 HG23 ' C ' ' A' ' 179' ' ' PHE . 87.3 m -155.28 146.22 22.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' A' ' 179' ' ' PHE . 4.8 mp -108.53 110.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.63 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 19.8 mm -98.06 117.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.91 116.09 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.252 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 95.9 m -106.17 135.47 47.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.3 mt -122.76 137.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.213 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.6 tm-20 -131.3 151.91 51.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.029 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.183 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 0.5 OUTLIER -140.63 170.6 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.958 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -148.61 77.85 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.248 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -65.4 147.48 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.951 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.637 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 3.1 tp-100 -168.0 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' PRO . . . . . 0.68 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.5 Cg_endo -60.69 -52.12 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.459 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.68 ' N ' ' O ' ' A' ' 165' ' ' PRO . 97.8 m-20 -121.94 -10.46 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.828 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 48.6 m-85 70.04 80.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.828 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 16.1 p-90 158.82 127.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.742 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -136.03 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.361 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 41.4 ttm180 -165.72 136.64 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' TRP . . . . . 0.734 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.0 t-105 -107.55 138.87 42.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.486 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.3 mtm180 -125.35 152.28 44.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -166.31 111.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.033 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.639 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 81.5 tt0 -116.42 124.72 50.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.094 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.663 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.4 m95 -120.57 116.92 26.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -98.62 119.83 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.986 ' C ' HG23 ' A' ' 153' ' ' THR . 35.8 m-85 -117.51 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.71 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.915 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.7 m -50.08 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' ILE . . . . . 0.794 ' O ' HG23 ' A' ' 182' ' ' THR . 9.8 tp -164.31 151.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.661 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.928 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.78 61.45 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 1.072 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 90.3 Cg_exo -34.41 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.82 0 C-N-CA 123.481 2.787 . . . . 0.0 112.661 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' PRO . . . . . 0.928 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.6 Cg_endo -79.8 -4.32 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.851 2.367 . . . . 0.0 112.144 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' THR . . . . . 1.045 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.32 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.22 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.155 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.79 131.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 1.135 ' O ' HG23 ' A' ' 188' ' ' VAL . 86.9 mt-30 -106.75 -114.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.235 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.135 HG23 ' O ' ' A' ' 187' ' ' GLN . 6.5 t 145.63 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.674 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 189' ' ' ALA . . . . . 0.738 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.83 111.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.365 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 191' ' ' VAL . 2.8 p -165.78 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.507 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 192' ' ' LEU . . . . . 0.531 HD22 ' OE1' ' A' ' 236' ' ' GLU . 18.6 mt -85.53 157.82 20.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -150.37 147.89 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 194' ' ' ILE . . . . . 0.692 HD11 ' CH2' ' A' ' 173' ' ' TRP . 29.5 mt -149.45 134.05 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.26 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.567 ' NE2' ' OE1' ' A' ' 205' ' ' GLN . 60.6 tt0 -142.32 130.28 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.947 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 47.1 t -132.66 136.66 55.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 197' ' ' HIS . . . . . 0.764 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 10.7 t-80 -126.55 141.61 51.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.933 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 198' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 48.3 t80 -145.58 87.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.4 t80 -100.08 87.74 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 200' ' ' GLU . . . . . 0.797 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.0 tt0 -129.48 52.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.346 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 201' ' ' ASP . . . . . 0.797 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.7 t0 114.8 2.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.422 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.72 -129.12 1.08 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -172.8 99.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.09 129.19 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 3.7 tt0 -136.84 154.15 50.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.8 tt -122.25 87.2 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 207' ' ' VAL . . . . . 0.569 ' CG2' ' NE2' ' A' ' 205' ' ' GLN . 12.2 t -90.1 122.25 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 19.8 m -149.55 147.25 27.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -157.85 145.15 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 210' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 51.1 tttp -135.49 129.03 32.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.885 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.1 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.0 tt -127.1 154.89 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -150.2 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.285 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 214' ' ' ASP . . . . . 0.643 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.9 t0 -118.84 166.11 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 215' ' ' SER . . . . . 1.059 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 70.7 m -117.84 103.41 9.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.429 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 216' ' ' VAL . . . . . 1.155 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 53.2 t -91.93 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.666 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 217' ' ' GLN . . . . . 1.045 ' HA ' ' O ' ' A' ' 185' ' ' THR . 4.2 mp0 -102.65 128.05 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 218' ' ' VAL . . . . . 1.076 HG23 ' HB2' ' A' ' 186' ' ' ALA . 75.6 t -86.03 137.56 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 42.7 t -131.03 -99.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.3 t -100.2 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -86.8 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 81.7 t -70.06 -24.7 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -73.97 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.459 HG22 ' CE2' ' A' ' 228' ' ' PHE . 24.9 m -54.63 -36.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 225' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.57 -57.08 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -57.11 -30.52 64.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.391 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 231' ' ' ILE . 94.6 mt-10 -67.6 -38.77 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 224' ' ' THR . 14.6 m-85 -67.77 -53.95 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 229' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.9 mm -52.13 -27.34 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.387 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -74.87 -36.71 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.326 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 231' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 227' ' ' GLU . 1.3 mp -67.56 -41.17 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 232' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 177' ' ' TRP . 54.0 mt -70.02 -44.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.428 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.08 -46.97 82.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -69.64 -43.93 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.12 -51.96 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.416 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 236' ' ' GLU . . . . . 0.531 ' OE1' HD22 ' A' ' 192' ' ' LEU . 10.4 tp10 -60.18 -44.13 95.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.437 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 237' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -60.03 -40.22 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.46 -44.39 74.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 240' ' ' GLN . . . . . 0.546 ' O ' ' NE2' ' A' ' 240' ' ' GLN . 2.1 tm0? -68.23 -38.95 82.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 19.7 m -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.67 71.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 243' ' ' ILE . . . . . 0.405 ' CD1' HD12 ' A' ' 194' ' ' ILE . 50.4 mt -69.16 -47.55 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.69 -34.18 73.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.93 -42.89 84.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 246' ' ' ASN . . . . . 0.543 HD22 ' CB ' ' B' ' 484' ' ' SER . 31.9 m-20 -62.16 -34.57 76.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 247' ' ' TYR . . . . . 0.539 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.4 OUTLIER -64.94 -31.93 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -73.19 -50.84 20.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 249' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 253' ' ' THR . 16.0 m -64.84 -34.83 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 37.0 mtt -72.83 -14.54 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.9 p -112.94 -10.17 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 252' ' ' ASP . . . . . 0.888 ' O ' ' OG1' ' A' ' 253' ' ' THR . 65.4 t0 -132.09 47.77 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 253' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 29.7 m 175.7 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 254' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 15.1 m -53.57 -61.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -47.69 -57.58 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.14 -11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.531 ' HB2' HH22 ' C' ' 636' ' ' ARG . . . -87.24 -18.24 30.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -78.02 -91.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 259' ' ' ARG . . . . . 0.497 ' HD2' ' CH2' ' B' ' 448' ' ' TRP . 15.0 ptm180 -98.67 174.46 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 260' ' ' ARG . . . . . 0.53 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 11.8 mmm180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -83.73 -11.24 57.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.444 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 262' ' ' LEU . 1.2 pp -163.63 133.26 3.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 263' ' ' PRO . . . . . 0.727 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.3 Cg_exo -43.93 135.45 7.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.88 2.387 . . . . 0.0 112.022 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 264' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 265' ' ' THR . 5.0 m -37.84 -38.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 265' ' ' THR . . . . . 0.466 ' N ' HG23 ' A' ' 264' ' ' VAL . 4.2 m -64.2 -5.41 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 266' ' ' ARG . . . . . 0.68 ' N ' ' O ' ' A' ' 263' ' ' PRO . 68.3 ttt180 54.11 55.59 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.2 t 173.29 114.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.9 mttt -16.86 131.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 269' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 9.8 tt -50.26 158.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.802 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.5 OUTLIER -117.13 58.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 271' ' ' TRP . . . . . 0.592 ' C ' ' O ' ' A' ' 270' ' ' ASP . 80.3 m95 -21.42 -55.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 272' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 270' ' ' ASP . 65.5 m-20 -44.52 -25.63 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 273' ' ' LYS . . . . . 1.241 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 97.9 mttt -99.94 -7.72 24.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.65 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 274' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 274' ' ' ILE . 2.0 mp -103.17 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 275' ' ' LEU . . . . . 0.724 ' O ' ' CB ' ' A' ' 276' ' ' SER . 74.2 mt -111.1 44.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 276' ' ' SER . . . . . 1.32 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.2 p 141.92 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 1.241 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.2 t80 -30.97 43.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 278' ' ' LYS . . . . . 1.32 ' N ' ' O ' ' A' ' 276' ' ' SER . 35.7 ttmt -107.72 80.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 1.079 ' O ' ' O ' ' A' ' 280' ' ' GLY . 15.9 mm 54.22 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 280' ' ' GLY . . . . . 1.079 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 24.4 pttm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.515 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 302' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 13.2 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -42.81 -51.24 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 304' ' ' GLN . . . . . 0.508 ' H ' ' CD ' ' B' ' 304' ' ' GLN . 27.3 mp0 -55.34 -34.11 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 305' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 302' ' ' SER . 85.4 mt-30 -60.74 -49.1 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.406 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.26 -40.62 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.93 -40.84 95.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 308' ' ' CYS . . . . . 0.414 ' SG ' HD22 ' A' ' 38' ' ' LEU . 95.9 m -68.09 -37.19 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.389 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 309' ' ' ALA . . . . . 0.716 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.18 -42.12 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' B' ' 315' ' ' ARG . 43.7 t0 -68.27 -33.65 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.79 -43.7 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.421 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.3 mmm -64.39 -25.67 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.3 -12.32 58.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 315' ' ' ARG . . . . . 0.603 HH11 ' HG2' ' B' ' 315' ' ' ARG . 12.0 mmt-85 -100.07 -46.93 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.57 147.7 95.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.6 128.45 21.0 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.783 2.322 . . . . 0.0 112.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 318' ' ' PRO . . . . . 0.484 ' HA ' HG12 ' B' ' 321' ' ' ILE . 42.2 Cg_endo -71.52 -3.98 14.1 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.89 2.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -80.64 -17.84 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -123.89 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 321' ' ' ILE . . . . . 0.484 HG12 ' HA ' ' B' ' 318' ' ' PRO . 4.6 mm -63.4 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.71 -60.84 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.524 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -54.59 -54.42 41.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -54.67 -55.75 26.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 38.3 tp -47.16 -48.95 23.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.43 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.05 -49.72 74.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.444 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.33 -40.75 97.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.459 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 328' ' ' LEU . . . . . 0.716 HD21 ' HB1' ' B' ' 309' ' ' ALA . 52.6 tp -55.52 -41.09 72.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.451 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -41.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.388 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -38.02 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 331' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.1 mt -71.22 -29.05 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.58 84.61 9.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.432 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.09 -5.56 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.701 2.267 . . . . 0.0 112.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.37 -6.41 56.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 78.8 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 336' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.9 p -64.04 -55.92 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.581 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 10.7 tm-20 -60.28 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.73 -36.13 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.532 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 339' ' ' LEU . . . . . 0.43 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 66.5 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 340' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 33.7 mt -81.51 12.42 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 63.3 p -144.13 -3.65 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.6 m -119.36 -15.49 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.88 120.07 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.456 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -87.83 128.63 35.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.436 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 3.5 pt20 -129.35 165.89 29.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 346' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 81.0 Cg_exo -44.41 125.32 5.87 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.829 2.353 . . . . 0.0 112.08 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 347' ' ' LEU . . . . . 0.479 HD21 HD11 ' B' ' 451' ' ' ILE . 95.4 mt -66.8 122.54 17.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -88.62 148.79 23.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.389 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.2 tt -102.96 136.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' ALA . . . . . 0.729 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.62 157.64 33.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.485 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -114.31 143.32 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 56.3 t0 -111.93 81.36 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 353' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.1 mttp -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.609 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 94.5 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.5 t -92.98 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.7 70.54 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 45.0 mmtm -115.11 154.91 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 358' ' ' ASP . . . . . 0.729 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 35.8 p30 -94.77 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.623 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 31.3 p90 -139.68 135.75 33.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.2 156.63 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.1 mt -108.55 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 362' ' ' CYS . . . . . 0.436 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 26.6 p -168.2 168.59 11.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 363' ' ' ASP . . . . . 0.644 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.4 -10.35 59.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 364' ' ' TYR . . . . . 0.483 ' HB2' HG11 ' B' ' 431' ' ' VAL . 96.0 m-85 -88.38 -18.17 28.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 365' ' ' ASN . . . . . 0.436 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 11.5 p-10 -123.22 24.73 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 366' ' ' ARG . . . . . 0.564 HH22 HD22 ' B' ' 340' ' ' LEU . 46.8 ttp180 -119.99 129.83 54.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.15 99.47 6.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -126.27 8.69 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 370' ' ' SER . . . . . 1.006 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 82.5 p -122.33 161.32 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 371' ' ' TYR . . . . . 1.103 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 1.6 m-85 -118.3 150.78 38.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -98.77 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 373' ' ' SER . . . . . 0.586 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 98.6 p -79.57 133.8 58.87 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 374' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 3.3 Cg_exo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.848 2.365 . . . . 0.0 112.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -85.94 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 31.3 t -83.15 -18.63 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 377' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' B' ' 373' ' ' SER . 2.7 t-20 70.28 40.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -141.53 137.92 32.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 379' ' ' TYR . . . . . 1.103 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.1 OUTLIER -65.77 140.41 58.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 380' ' ' ASP . . . . . 0.767 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.95 -60.41 6.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 381' ' ' PRO . . . . . 1.006 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.48 120.04 7.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 123.022 2.482 . . . . 0.0 112.299 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -41.56 79.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.949 2.433 . . . . 0.0 112.308 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.778 ' HB3' ' CE1' ' B' ' 379' ' ' TYR . 1.1 tp -84.56 177.59 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.97 65.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 386' ' ' GLY . . . . . 0.76 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.21 151.75 47.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -64.01 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.796 0.331 . . . . 0.0 110.555 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -132.26 148.58 70.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.98 150.75 49.31 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.782 2.321 . . . . 0.0 112.15 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.71 142.93 17.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.6 -43.79 5.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -67.9 -37.77 82.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.93 -42.47 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -55.32 -36.8 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.47 -46.65 85.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.337 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.38 -31.99 73.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.328 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -67.77 -38.07 82.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.372 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.06 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.397 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.74 -36.96 79.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.358 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.84 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 58.4 m-80 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 402' ' ' ASN . . . . . 0.456 ' O ' ' NE2' ' B' ' 406' ' ' GLN . 27.8 t-20 -72.13 -40.4 68.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.36 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.99 78.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.387 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.27 -29.25 67.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 405' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 32.8 m-20 -54.64 -38.81 67.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 406' ' ' GLN . . . . . 0.578 ' O ' HD13 ' B' ' 410' ' ' LEU . 1.0 OUTLIER -77.04 -32.92 57.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -69.76 -18.61 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 408' ' ' ARG . . . . . 0.574 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.1 ttp180 -83.81 -35.54 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 409' ' ' ASP . . . . . 0.542 ' OD2' ' NZ ' ' C' ' 604' ' ' LYS . 16.8 t70 -85.18 -8.9 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 410' ' ' LEU . . . . . 0.679 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 4.8 mp -95.83 -17.88 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.571 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 411' ' ' TYR . . . . . 0.727 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.01 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.55 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 73.1 m-85 -100.65 -25.92 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 413' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.9 mt-10 63.5 24.39 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.51 25.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 415' ' ' GLY . . . . . 0.574 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.37 -163.48 52.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 416' ' ' VAL . . . . . 0.479 ' HA ' HH11 ' B' ' 408' ' ' ARG . 20.9 t -128.64 153.72 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 37.7 t -143.58 148.52 36.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.2 t -148.17 143.95 27.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.87 130.25 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.545 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 53.8 t80 -128.48 132.47 48.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.313 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.68 158.35 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.749 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 422' ' ' TRP . . . . . 0.936 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.9 p-90 -154.45 110.6 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -43.06 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 424' ' ' LEU . . . . . 0.467 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 2.6 tp -127.86 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 425' ' ' ASP . . . . . 0.467 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 64.4 t0 -87.32 -49.85 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -129.79 30.77 4.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.62 2.56 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.72 154.07 4.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.741 0.305 . . . . 0.0 110.577 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 429' ' ' ALA . . . . . 0.936 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -123.97 172.83 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 430' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.64 34.99 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 431' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.04 126.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.32 113.69 40.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' B' ' 450' ' ' SER . 46.5 mt -102.83 143.14 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 434' ' ' ILE . . . . . 0.592 ' HB ' ' HB3' ' B' ' 450' ' ' SER . 30.4 mt -148.73 119.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -122.51 127.55 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 436' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.18 119.58 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.88 138.2 40.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.13 179.48 45.29 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -50.68 128.03 19.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 110.557 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.6 9.76 75.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 441' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' C' ' 677' ' ' TYR . 3.7 p -110.43 -4.24 15.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.576 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -89.25 153.89 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 443' ' ' LYS . . . . . 0.615 ' H ' ' CD ' ' B' ' 443' ' ' LYS . 7.1 mptt -56.89 -43.84 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 65.1 mt -95.07 135.92 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.752 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.75 154.75 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.7 152.45 24.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.1 m -149.51 130.7 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 448' ' ' TRP . . . . . 0.543 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.6 t-105 -114.83 116.26 28.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -109.54 127.18 54.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 450' ' ' SER . . . . . 0.592 ' HB3' ' HB ' ' B' ' 434' ' ' ILE . 0.6 OUTLIER -115.93 122.74 46.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 451' ' ' ILE . . . . . 0.479 HD11 HD21 ' B' ' 347' ' ' LEU . 51.3 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.206 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 452' ' ' HIS . . . . . 0.534 ' NE2' ' OE2' ' B' ' 521' ' ' GLU . 1.4 m170 -108.63 132.41 53.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.862 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.69 95.59 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.281 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.7 p -96.65 153.6 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -131.83 102.23 5.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.312 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 456' ' ' VAL . . . . . 0.429 HG22 ' CE2' ' B' ' 467' ' ' TYR . 61.4 t -79.08 139.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -123.51 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.476 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 458' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 84.2 tt0 -40.3 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.664 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 459' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' B' ' 464' ' ' THR . 52.6 mttp -109.33 141.97 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -48.99 -54.14 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 54.3 p -126.75 146.54 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 462' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.08 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 59.15 -0.17 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.542 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 464' ' ' THR . . . . . 0.599 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 0.2 OUTLIER -82.29 123.68 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.419 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 465' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.75 151.86 33.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.9 126.58 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 467' ' ' TYR . . . . . 0.429 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.6 m-85 -103.17 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -135.84 86.1 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.186 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 469' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' B' ' 470' ' ' THR . 0.5 OUTLIER -82.09 157.54 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.505 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 470' ' ' THR . . . . . 0.401 ' H ' ' HG ' ' B' ' 469' ' ' LEU . 19.1 m -157.86 62.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.06 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 471' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.3 p -64.61 174.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.152 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 472' ' ' THR . . . . . 0.479 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.76 87.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.151 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 473' ' ' VAL . . . . . 0.47 HG11 ' CH2' ' B' ' 448' ' ' TRP . 88.3 t -69.74 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 474' ' ' MET . . . . . 0.452 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 3.0 ttt -124.74 96.02 4.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.13 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 475' ' ' LEU . . . . . 0.732 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.9 OUTLIER -86.69 131.12 34.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.594 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 476' ' ' TRP . . . . . 0.732 ' N ' HD23 ' B' ' 475' ' ' LEU . 3.6 t-105 -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.254 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.3 mt -137.3 124.67 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 478' ' ' GLN . . . . . 0.524 ' CD ' HD22 ' B' ' 488' ' ' ASN . 19.6 tt0 -138.2 158.17 44.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.471 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 479' ' ' THR . . . . . 0.508 HG23 ' O ' ' B' ' 479' ' ' THR . 10.5 t -163.46 127.43 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.643 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 480' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.21 73.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 9.1 mtmp? -107.58 146.67 31.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 482' ' ' THR . . . . . 0.549 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.5 m -57.29 -45.95 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.69 -25.22 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 484' ' ' SER . . . . . 0.543 ' CB ' HD22 ' A' ' 246' ' ' ASN . 7.5 t -125.97 14.91 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.547 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 486' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.1 m -126.1 113.96 17.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.47 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 487' ' ' MET . . . . . 0.421 ' HB3' HG22 ' B' ' 479' ' ' THR . 6.0 ttp -125.12 118.04 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 488' ' ' ASN . . . . . 0.524 HD22 ' CD ' ' B' ' 478' ' ' GLN . 22.6 m120 -118.95 123.98 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 489' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.8 tp -131.67 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.44 -163.82 21.76 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 491' ' ' GLY . . . . . 0.635 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.88 -142.61 11.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 492' ' ' SER . . . . . 0.635 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 76.4 p 163.2 135.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.52 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 493' ' ' LEU . . . . . 0.545 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 494' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 58.1 m -127.1 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.504 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -150.02 128.72 12.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.82 160.56 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 26.6 ttt -160.06 130.48 5.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.617 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -133.54 141.59 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -172.21 145.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 500' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 45.2 p-10 -91.26 125.21 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -120.71 160.16 23.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.6 m -94.27 131.84 39.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.64 122.45 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -142.97 -177.27 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.94 -35.8 77.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.69 -19.79 34.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 17.8 t -135.5 73.42 62.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.56 -172.57 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.807 2.338 . . . . 0.0 112.145 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -58.81 -62.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 71.4 mt -42.75 -48.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.18 72.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -48.18 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.01 -33.65 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.55 74.27 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -57.36 -44.33 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.75 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.14 -52.53 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.623 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 517' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' B' ' 521' ' ' GLU . 60.8 t -55.47 -47.24 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -57.89 -51.72 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -63.47 -37.54 87.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 2.3 tpt -64.39 -49.43 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 521' ' ' GLU . . . . . 0.534 ' OE2' ' NE2' ' B' ' 452' ' ' HIS . 1.7 mp0 -62.58 -45.27 93.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.713 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.92 -41.44 78.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.75 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.45 -24.37 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 525' ' ' ARG . . . . . 0.529 ' HG2' HH11 ' B' ' 525' ' ' ARG . 33.6 ttt-85 -68.72 -27.67 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -84.97 -38.74 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 73.1 p -66.06 -35.82 81.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 528' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 63.1 mt -64.94 -42.31 94.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.71 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.57 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.8 mt-10 -74.4 -54.4 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.644 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.43 -61.47 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 532' ' ' TYR . . . . . 0.686 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.9 m-85 -50.29 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 533' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.8 40.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.559 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 535' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' B' ' 536' ' ' THR . 0.8 OUTLIER -56.89 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 110.503 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.647 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 43.7 p -34.77 -57.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -50.44 -53.23 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -53.2 -44.93 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 539' ' ' ILE . . . . . 0.619 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 33.7 mm -61.73 -36.04 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.44 -42.01 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -69.76 -17.13 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.34 48.01 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.6 mt -68.13 -51.4 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.475 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 544' ' ' ARG . . . . . 0.796 ' HG2' ' H ' ' B' ' 545' ' ' SER . 2.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.652 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 545' ' ' SER . . . . . 0.796 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 38.5 t -142.18 137.86 31.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 546' ' ' ILE . . . . . 0.422 HD11 ' OE1' ' A' ' 240' ' ' GLN . 97.4 mt -69.1 -43.48 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -82.91 138.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 548' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.46 122.13 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.52 112.73 31.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.3 Cg_exo -46.61 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.852 2.368 . . . . 0.0 112.071 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.6 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 552' ' ' ASN . . . . . 0.44 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 10.2 p30 -129.91 116.19 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -85.27 -24.8 27.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.697 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.57 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -45.15 -56.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -57.55 -46.9 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.757 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.87 -29.64 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 60.0 tp -77.78 -30.37 51.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -73.5 -36.39 65.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 560' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' B' ' 560' ' ' ARG . 57.9 ttt-85 -58.21 -40.55 81.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 561' ' ' GLU . . . . . 0.552 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.0 mm-40 -67.79 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.727 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.897 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 58.9 tp -49.1 -40.69 33.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 68.0 m -61.18 -76.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 12.5 pt20 -36.68 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.897 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 18.1 t -72.12 -42.68 67.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.2 tp -81.46 -35.59 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 24.7 m -70.26 -19.62 63.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -117.53 6.65 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.98 -141.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.483 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 570' ' ' GLN . . . . . 0.872 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 5.3 tt0 139.82 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 571' ' ' ILE . . . . . 0.872 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 55.6 mt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 79.0 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.3 m 62.12 5.94 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -49.86 -37.76 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 604' ' ' LYS . . . . . 0.542 ' NZ ' ' OD2' ' B' ' 409' ' ' ASP . 79.0 tttt -69.71 -52.23 27.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -55.07 -28.91 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -75.68 -53.61 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 607' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' C' ' 607' ' ' MET . 6.8 tmm? -72.82 -36.82 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -56.75 -16.04 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.606 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 609' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.39 -50.67 13.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.639 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 610' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' C' ' 610' ' ' LEU . 4.0 mt -66.28 1.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 611' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.3 tttm -102.07 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -70.36 -4.27 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 613' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.04 21.85 58.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 614' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.8 m-20 -63.83 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 615' ' ' LEU . . . . . 0.94 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.8 tm? -44.99 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 616' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' C' ' 614' ' ' ASP . 62.5 m-20 -77.75 -27.51 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 617' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.52 -49.85 10.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 618' ' ' VAL . . . . . 0.604 HG21 HD22 ' C' ' 654' ' ' LEU . 10.7 p -62.81 -28.42 44.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 619' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.3 tttp -66.22 -21.88 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 620' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.0 t0 -75.33 -45.39 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 14.6 t -57.73 -27.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 623' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.75 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -64.82 -76.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 625' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.9 82.37 0.1 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 626' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.9 pt-20 34.23 95.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 627' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 96.9 m-20 -140.98 62.66 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.654 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 628' ' ' VAL . . . . . 0.52 HG21 ' H ' ' C' ' 658' ' ' GLY . 3.3 m -121.94 76.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.536 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 629' ' ' ASN . . . . . 0.426 ' H ' ' H ' ' C' ' 630' ' ' ARG . 35.8 t30 -173.0 5.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 630' ' ' ARG . . . . . 0.664 HH11 ' CG ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.09 166.85 21.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 631' ' ' THR . . . . . 0.504 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.2 OUTLIER -82.03 87.64 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 632' ' ' LEU . . . . . 0.504 ' C ' ' O ' ' C' ' 631' ' ' THR . 43.8 tp -31.32 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.527 ' OE2' ' NH1' ' A' ' 260' ' ' ARG . 11.6 tp10 -71.7 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.68 -11.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 635' ' ' GLY . . . . . 0.523 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.47 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 636' ' ' ARG . . . . . 0.635 HH21 ' CG2' ' A' ' 253' ' ' THR . 99.1 mtt180 -127.92 164.9 21.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 637' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' C' ' 639' ' ' LEU . 11.3 mmtp -108.41 156.99 37.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 638' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 57.0 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.805 2.337 . . . . 0.0 112.136 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 639' ' ' LEU . . . . . 0.555 HD11 HD13 ' C' ' 655' ' ' LEU . 0.6 OUTLIER -117.68 -16.31 10.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -75.23 -43.87 49.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.64 -36.03 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.92 -44.92 75.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.47 62.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD1' ' OE2' ' C' ' 678' ' ' GLU . 4.8 t70 -60.64 -35.7 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 645' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 38.5 t -160.87 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.02 34.11 4.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 647' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 88.0 mt-30 51.66 4.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.523 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 648' ' ' LEU . . . . . 0.944 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.57 7.02 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -115.8 -12.54 11.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 650' ' ' ILE . . . . . 0.553 ' CG2' HD21 ' C' ' 654' ' ' LEU . 1.0 OUTLIER -87.58 -36.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.599 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 1.082 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.33 -52.93 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 652' ' ' GLU . . . . . 0.785 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 56.8 mm-40 -56.13 -22.61 29.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 653' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.0 OUTLIER -75.88 -97.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 654' ' ' LEU . . . . . 0.851 HD23 ' H ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.38 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 655' ' ' LEU . . . . . 0.98 ' N ' ' O ' ' C' ' 653' ' ' PHE . 57.9 tp -102.93 -47.91 4.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.22 -25.37 63.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.82 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 658' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.38 -109.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 659' ' ' ALA . . . . . 0.713 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.1 33.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.524 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 660' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.8 m-20 -57.36 10.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 661' ' ' ILE . . . . . 0.713 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.8 tt -65.98 1.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 662' ' ' ASN . . . . . 1.1 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.3 m-20 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.13 -33.65 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 664' ' ' PRO . . . . . 1.1 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.7 Cg_exo -46.93 120.82 4.44 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.889 2.393 . . . . 0.0 112.14 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -125.88 -50.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -78.84 -16.13 57.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 667' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.4 m80 -80.53 -6.23 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 40.52 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 669' ' ' ILE . . . . . 0.445 HG22 ' O ' ' C' ' 667' ' ' HIS . 10.7 tt -176.86 147.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 670' ' ' THR . . . . . 0.407 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.7 10.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 671' ' ' PRO . . . . . 0.494 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.48 -30.52 12.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.824 2.349 . . . . 0.0 112.122 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 672' ' ' LEU . . . . . 0.744 HD23 ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.39 -49.01 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 673' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 15.8 mt -67.87 -27.85 67.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 674' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 17.2 p -51.76 -40.87 61.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.517 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 675' ' ' ALA . . . . . 0.42 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.54 -30.07 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 676' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 10.8 t -47.17 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 677' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' B' ' 441' ' ' SER . 0.3 OUTLIER -77.83 39.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 678' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' C' ' 644' ' ' ASP . 37.0 tp10 -124.52 -28.65 3.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.21 -11.33 72.37 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 19.3 m170 -71.94 -53.51 12.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 681' ' ' VAL . . . . . 0.775 ' O ' HG22 ' C' ' 684' ' ' VAL . 9.2 m 43.27 -4.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.628 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.42 -24.26 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -48.67 6.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 684' ' ' VAL . . . . . 0.775 HG22 ' O ' ' C' ' 681' ' ' VAL . 4.0 m -41.91 -34.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 685' ' ' LYS . . . . . 0.826 ' O ' HD12 ' C' ' 688' ' ' LEU . 63.8 tttm -62.56 -73.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 686' ' ' LEU . . . . . 0.502 ' N ' HD22 ' C' ' 686' ' ' LEU . 4.4 mm? -62.95 1.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 687' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' C' ' 685' ' ' LYS . 28.8 tp -81.9 -70.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 688' ' ' LEU . . . . . 1.337 HD13 ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.72 -21.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.512 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 689' ' ' SER . . . . . 1.337 ' N ' HD13 ' C' ' 688' ' ' LEU . 6.6 m -55.75 -21.54 19.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.604 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -99.62 -6.27 27.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 692' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.0 t0 33.11 -128.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -152.52 -23.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 28.8 m -156.57 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.593 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.41 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -140.13 23.53 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.67 142.77 20.36 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 699' ' ' PRO . . . . . 0.71 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.82 -27.75 2.59 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.815 2.343 . . . . 0.0 112.155 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 700' ' ' ASP . . . . . 0.71 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 31.2 m-20 157.74 -112.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 701' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.76 0.33 89.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 702' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.5 tt -53.89 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 703' ' ' THR . . . . . 0.885 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 92.5 m 16.26 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 704' ' ' ALA . . . . . 0.549 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 705' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.7 tp -62.88 -75.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.74 15.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 707' ' ' ALA . . . . . 0.885 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.44 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 708' ' ' THR . . . . . 0.604 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.4 m -139.83 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.62 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 709' ' ' ASP . . . . . 0.604 ' H ' HG22 ' C' ' 708' ' ' THR . 53.2 p-10 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.562 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -72.55 151.89 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -71.62 -20.46 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.23 -60.36 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -37.62 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -52.09 -29.93 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.16 14.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 716' ' ' LEU . . . . . 0.842 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.0 98.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 717' ' ' LEU . . . . . 0.842 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 19.0 mt 124.19 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 718' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' C' ' 717' ' ' LEU . 3.4 mt-30 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 8' ' ' VAL . 9.3 p -54.09 94.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -45.87 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.618 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' VAL . 97.9 m-20 -64.93 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.46 -39.27 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.0 mt-10 -67.6 -40.97 84.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.626 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -63.69 -35.84 81.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.4 t -65.29 -43.82 95.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.502 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.409 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.3 mtm180 -61.44 -39.78 92.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.734 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.37 -47.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.95 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.92 -41.34 91.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.16 -44.91 87.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.68 -46.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.9 p -75.97 8.44 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.74 15.34 9.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.99 81.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.5 Cg_endo -68.25 167.52 21.86 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.814 2.343 . . . . 0.0 112.08 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 48.4 Cg_endo -70.92 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.743 2.295 . . . . 0.0 112.093 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.12 21.49 35.47 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 42.1 mt-10 -149.34 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.87 -48.91 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -57.0 -57.43 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 44.1 mp0 -44.47 -54.44 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.1 t -60.86 -42.38 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 36.6 t80 -59.3 -50.82 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.05 -37.93 81.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.1 -42.05 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' VAL . 92.2 t -67.1 -41.81 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -56.36 -54.82 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -34.73 72.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.25 -49.75 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 tp -61.75 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 46.62 49.73 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 27.9 t-20 -168.7 79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -51.85 -37.92 53.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -54.18 -44.21 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.2 mt -77.25 -30.81 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.6 tp -62.77 -38.75 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.19 -35.54 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -40.9 -59.82 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.89 48.67 0.92 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.18 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.47 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.33 -36.94 64.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.37 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.54 -56.58 5.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.65 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.2 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.04 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -46.96 -30.91 2.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.3 ttp -68.92 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.534 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.4 p30 -67.84 10.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.9 mm-40 -124.61 24.75 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.91 44.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.49 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.2 m -58.81 111.35 3.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.603 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -75.73 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.858 2.372 . . . . 0.0 112.178 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.616 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.7 p -109.41 165.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.616 ' N ' HG22 ' A' ' 65' ' ' VAL . 87.1 tttt -125.14 103.95 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.9 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.641 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.9 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.1 tm-20 -13.21 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.584 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.52 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.09 0.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.787 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.48 14.77 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 70' ' ' TYR . 48.5 t0 20.13 39.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 1.059 ' O ' ' N ' ' A' ' 74' ' ' VAL . 30.8 t70 -98.83 19.37 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 71.6 mm-40 -0.19 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.059 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.718 ' N ' HG22 ' A' ' 74' ' ' VAL . 46.9 mt -113.35 152.26 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.3 mt -104.04 105.49 18.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 p -130.13 -176.88 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.82 -31.25 45.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' ' 155' ' ' ILE . 96.1 m-70 -63.95 -23.62 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.63 50.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -85.45 100.04 11.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 110.599 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.2 tp -49.64 -51.51 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.72 25.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.13 -15.73 9.37 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.672 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.4 168.73 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.372 . . . . 0.0 110.537 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 53.5 m-85 -114.54 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.856 HD23 ' H ' ' A' ' 89' ' ' ASP . 0.5 OUTLIER -118.28 157.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.856 ' H ' HD23 ' A' ' 88' ' ' LEU . 19.0 t0 -139.3 89.01 12.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.505 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.0 Cg_endo -60.97 -36.73 81.5 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.916 2.41 . . . . 0.0 111.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.582 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 6.1 ttp180 -59.47 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.664 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.6 t-20 -76.51 -20.38 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.1 mtmp? 62.78 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.661 HD13 ' OD1' ' A' ' 92' ' ' ASN . 23.6 pt -146.43 154.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.83 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.9 t -92.62 133.01 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.71 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 39.4 p90 -140.15 136.62 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.68 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 33.7 ttpt -88.66 113.39 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.896 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.4 t80 -82.68 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.52 ' O ' ' O ' ' A' ' 102' ' ' ARG . 8.8 t70 -104.51 90.14 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.472 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.38 -67.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt -47.48 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.74 156.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -88.88 2.26 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.531 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.23 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.836 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 60.4 m -95.58 -164.12 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.858 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.74 54.49 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.83 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.49 -177.75 3.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.818 2.346 . . . . 0.0 112.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.2 tt0 -160.19 124.58 2.09 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.523 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.15 131.04 17.4 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.816 2.344 . . . . 0.0 112.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 10.0 tm-20 -122.91 102.46 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -75.51 88.41 2.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.5 p -46.93 164.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.05 -30.07 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.646 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.91 35.63 1.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.3 tp -104.18 3.38 32.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.514 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.848 ' HZ2' HH21 ' A' ' 121' ' ' ARG . 10.7 mmpt? -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' LYS . 99.2 mm-40 -39.22 -55.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -62.58 -47.6 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.848 HH21 ' HZ2' ' A' ' 118' ' ' LYS . 5.3 tmm_? -53.83 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.576 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.5 m-20 -25.41 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.18 0.46 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.6 m -51.08 -48.58 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.43 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.41 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 37.0 m -47.97 -46.2 32.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.442 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.42 34.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.76 -12.32 60.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.638 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.38 -32.72 74.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.604 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.69 -39.24 24.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.55 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.4 t80 -54.78 -38.8 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 134' ' ' ASP . 87.7 t -74.73 -40.54 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.446 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.7 mttt -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.0 m-20 -147.58 7.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.702 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.9 m80 -151.07 -21.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.3 m-85 -114.67 106.48 52.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.459 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.0 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.775 2.316 . . . . 0.0 112.09 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.53 50.07 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.64 12.62 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.6 ' HB2' HD21 ' A' ' 75' ' ' LEU . 59.0 m-85 -135.08 158.17 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.599 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.34 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 89.8 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.505 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.0 t -75.73 143.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.559 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.3 m-85 -120.21 124.27 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.568 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.61 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -123.85 167.36 14.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.7 t -107.55 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.598 HG22 ' OD2' ' A' ' 149' ' ' ASP . 13.0 mt -91.17 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.601 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.59 54.23 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.9 -62.81 4.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -53.75 129.8 34.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.649 ' H ' HG21 ' A' ' 181' ' ' ILE . 75.3 mt-30 -85.73 150.47 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.396 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.699 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.16 22.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.46 110.0 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.44 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.1 117.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.88 116.05 27.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 89.8 m -106.12 135.43 47.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.76 137.72 55.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.527 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.35 151.92 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.747 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 161' ' ' HIS . . . . . 0.679 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.7 p-80 -140.64 170.6 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -148.61 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.199 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.679 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.4 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.006 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.97 66.14 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.75 -52.09 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.791 2.328 . . . . 0.0 112.109 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 10.7 m120 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.84 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 52.7 m-85 70.09 80.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.84 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 18.8 p-90 158.81 127.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.339 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.15 29.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.586 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.5 ttp180 -165.73 136.69 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.331 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' TRP . . . . . 0.747 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.3 t-105 -107.6 138.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.51 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.6 mtm180 -125.37 152.25 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.167 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.29 111.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.646 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.4 tt0 -116.39 124.73 50.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.119 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.7 m95 -120.63 116.91 26.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.91 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -98.63 119.78 37.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.353 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.699 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.0 m-85 -117.48 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.672 ' O ' ' O ' ' A' ' 179' ' ' PHE . 16.8 p -50.07 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' ILE . . . . . 0.817 ' O ' HG23 ' A' ' 182' ' ' THR . 9.7 tp -164.27 151.34 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.7 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.937 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.5 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 1.041 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 82.4 Cg_exo -34.44 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.823 0 C-N-CA 123.438 2.759 . . . . 0.0 112.669 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' PRO . . . . . 0.937 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 69.0 Cg_endo -79.87 -4.23 13.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.841 2.361 . . . . 0.0 112.15 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' THR . . . . . 1.077 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.28 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.158 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.76 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 1.031 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 0.8 OUTLIER -106.72 -115.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.8 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' ALA . . . . . 0.759 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.85 111.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.39 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.79 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 192' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -150.35 147.79 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.778 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 194' ' ' ILE . . . . . 0.555 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 64.9 mt -149.42 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.264 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -142.33 130.24 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.707 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 48.0 t -132.64 136.65 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 197' ' ' HIS . . . . . 0.779 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 21.6 t-160 -126.55 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.953 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 198' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.57 87.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.784 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.9 p90 -100.08 87.76 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 200' ' ' GLU . . . . . 0.805 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.2 tt0 -129.46 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.317 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 201' ' ' ASP . . . . . 0.805 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 89.3 m-20 114.8 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.382 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.63 -129.14 1.09 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -172.84 99.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.08 129.17 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 205' ' ' GLN . . . . . 0.707 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 81.5 mt-30 -136.77 154.12 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.9 tt -122.28 87.21 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.9 t -90.07 122.27 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 33.0 t -149.64 147.23 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 209' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 209' ' ' HIS . 14.8 p80 -157.86 145.13 18.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.165 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -135.48 129.08 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 211' ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' ' 191' ' ' VAL . 64.4 m-20 -103.6 129.87 50.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.22 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 212' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 213' ' ' GLN . 96.7 mt -127.15 154.88 37.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 0.0 110.982 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 213' ' ' GLN . . . . . 0.448 ' N ' HG22 ' A' ' 212' ' ' ILE . 52.6 tt0 -150.2 102.69 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.322 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 214' ' ' ASP . . . . . 0.65 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 99.7 m-20 -118.88 166.09 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.681 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 215' ' ' SER . . . . . 1.031 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 23.5 p -117.84 103.39 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 216' ' ' VAL . . . . . 1.158 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.88 165.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.661 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 217' ' ' GLN . . . . . 1.077 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.4 pt20 -102.64 128.03 49.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 218' ' ' VAL . . . . . 1.068 HG23 ' HB2' ' A' ' 186' ' ' ALA . 67.5 t -85.99 137.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.619 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.974 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.5 t -130.99 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 220' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.28 -163.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 221' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 21.4 p-10 -86.81 -62.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.471 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 98.2 t -70.05 -24.7 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -74.0 -56.72 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.974 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.0 p -54.6 -36.9 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.517 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.14 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -57.06 -30.55 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -67.61 -38.78 84.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 216' ' ' VAL . 38.3 m-85 -67.72 -54.01 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.354 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 229' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.12 -27.36 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -74.83 -36.75 62.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 231' ' ' ILE . . . . . 0.431 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.8 mt -67.48 -41.21 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.454 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 232' ' ' ILE . . . . . 0.46 HG23 ' CE2' ' A' ' 177' ' ' TRP . 53.9 mt -70.09 -44.42 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -57.11 -46.98 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.474 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.98 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -60.15 -44.16 95.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 237' ' ' ASN . . . . . 0.605 ' O ' HG23 ' A' ' 241' ' ' THR . 92.6 m-20 -59.98 -40.19 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.85 -34.32 73.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.492 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.5 -44.41 74.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -68.17 -38.95 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 241' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 237' ' ' ASN . 19.0 p -61.53 -45.74 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.73 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.553 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.6 mm -69.18 -47.51 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.67 -34.23 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.83 -42.98 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 246' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 250' ' ' MET . 24.1 t-20 -62.07 -34.68 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 247' ' ' TYR . . . . . 0.595 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.89 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 248' ' ' GLN . . . . . 0.579 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 12.5 tp60 -73.21 -50.94 19.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 249' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.0 m -64.7 -34.85 79.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 250' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.1 ptp -72.87 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.3 p -112.95 -10.13 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 252' ' ' ASP . . . . . 0.802 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 2.7 p30 -132.06 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 253' ' ' THR . . . . . 0.61 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 3.9 m 175.74 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 254' ' ' THR . . . . . 0.572 ' N ' HG22 ' A' ' 253' ' ' THR . 6.8 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -47.63 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -64.15 -11.85 34.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.23 -18.19 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.01 -91.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.616 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 259' ' ' ARG . . . . . 0.855 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.7 ttt180 -98.64 174.41 6.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 260' ' ' ARG . . . . . 0.855 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 18.4 mmm180 -109.19 153.2 24.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 261' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 53.4 tt0 -83.66 -11.22 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.66 133.22 3.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 263' ' ' PRO . . . . . 0.716 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 75.8 Cg_exo -43.92 135.38 7.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.869 2.38 . . . . 0.0 112.109 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 264' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 265' ' ' THR . 6.1 m -37.74 -39.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 265' ' ' THR . . . . . 0.485 ' O ' HG22 ' A' ' 267' ' ' THR . 33.9 p -64.15 -5.46 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 266' ' ' ARG . . . . . 0.679 ' N ' ' O ' ' A' ' 263' ' ' PRO . 4.7 ttm180 54.13 55.61 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.7 mttt -16.73 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.614 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 269' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 270' ' ' ASP . 95.9 mt -50.3 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.538 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.809 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.3 m-20 -117.09 58.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 271' ' ' TRP . . . . . 0.607 ' C ' ' O ' ' A' ' 270' ' ' ASP . 82.0 m95 -21.5 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 272' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.9 t-20 -44.54 -25.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 273' ' ' LYS . . . . . 1.214 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 0.8 OUTLIER -99.92 -7.73 24.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.657 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 274' ' ' ILE . . . . . 0.592 ' N ' ' O ' ' A' ' 271' ' ' TRP . 8.0 mm -103.21 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 275' ' ' LEU . . . . . 0.719 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.2 mt -111.18 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 276' ' ' SER . . . . . 1.31 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.94 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 1.214 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 75.3 t80 -30.92 43.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 278' ' ' LYS . . . . . 1.31 ' N ' ' O ' ' A' ' 276' ' ' SER . 31.6 mtmm -107.64 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.562 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.5 mt 54.18 3.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.1 0.0 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 51.8 tttp . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.509 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 302' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 34.6 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -42.77 -51.23 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -55.35 -34.12 63.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.472 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 305' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.68 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.435 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 46.9 tp -57.25 -40.57 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.01 -40.79 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.6 m -68.1 -37.17 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.24 -42.11 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.349 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.36 -38.35 84.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 311' ' ' ASP . . . . . 0.405 ' OD1' ' NE ' ' B' ' 315' ' ' ARG . 47.1 t0 -68.29 -33.65 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.82 -43.75 74.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.1 mmm -64.36 -25.63 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 315' ' ' ARG . . . . . 0.588 HH11 ' HG2' ' B' ' 315' ' ' ARG . 51.0 mtt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.64 147.75 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.65 128.42 21.08 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.825 2.35 . . . . 0.0 112.04 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 318' ' ' PRO . . . . . 0.422 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.0 Cg_endo -71.48 -4.02 14.17 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.846 2.364 . . . . 0.0 112.061 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 319' ' ' GLN . . . . . 0.418 ' HG2' ' H ' ' B' ' 319' ' ' GLN . 5.6 pt20 -80.59 -17.81 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -123.91 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 321' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' B' ' 318' ' ' PRO . 85.7 mt -63.33 -40.88 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.75 -60.76 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.67 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.66 -55.75 26.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.5 tp -47.18 -48.92 23.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.447 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.1 t -57.13 -49.69 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.393 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.33 -40.73 97.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.479 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 61.3 tp -55.55 -41.06 72.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.485 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -41.21 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -57.81 -37.95 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.22 -29.08 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.59 84.62 9.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.1 -5.57 15.08 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.082 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 97.4 p -89.37 -6.4 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 88.9 mt -119.03 20.87 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.632 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 336' ' ' CYS . . . . . 0.442 ' SG ' HD11 ' B' ' 340' ' ' LEU . 12.0 t -64.11 -55.86 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.41 -50.34 73.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.77 -36.18 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 339' ' ' LEU . . . . . 0.47 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 72.8 mt -79.05 -28.67 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 340' ' ' LEU . . . . . 0.638 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 39.3 mt -81.47 12.42 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.0 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.4 p -119.41 -15.53 9.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 89.4 t -105.83 120.06 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -87.86 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.5 OUTLIER -129.32 165.91 29.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.483 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.44 125.24 5.85 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.829 2.353 . . . . 0.0 112.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.73 122.53 17.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.67 148.81 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.1 pt -102.98 136.37 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.715 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 350' ' ' ALA . . . . . 0.725 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.66 33.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -114.33 143.39 44.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.971 ' O ' ' N ' ' B' ' 356' ' ' GLY . 61.9 t0 -111.98 81.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 67.0 mmtt -37.28 -62.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 354' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' B' ' 353' ' ' LYS . 98.0 t -39.54 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.594 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.3 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.603 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 356' ' ' GLY . . . . . 0.971 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.67 70.63 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 357' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.03 154.89 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.619 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 358' ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.3 m-20 -94.77 143.03 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' HB1' ' B' ' 350' ' ' ALA . 29.9 p90 -139.62 135.75 33.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.15 156.63 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.481 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.2 mt -108.6 158.56 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 362' ' ' CYS . . . . . 0.597 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.5 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 363' ' ' ASP . . . . . 0.638 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.0 t70 -75.48 -10.32 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 364' ' ' TYR . . . . . 0.449 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 38.5 m-85 -88.38 -18.22 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 365' ' ' ASN . . . . . 0.597 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 35.8 p-10 -123.21 24.76 8.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 366' ' ' ARG . . . . . 0.503 HH22 HD13 ' B' ' 340' ' ' LEU . 31.0 ttp180 -119.92 129.85 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -122.2 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.73 1.75 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.26 8.65 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.573 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 370' ' ' SER . . . . . 1.142 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.6 p -122.36 161.36 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 371' ' ' TYR . . . . . 1.119 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 83.6 m-85 -118.3 150.83 38.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 372' ' ' ARG . . . . . 0.616 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.5 ttp180 -98.82 124.71 43.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 373' ' ' SER . . . . . 0.599 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.2 t -79.56 133.8 58.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.773 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.91 -14.81 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.863 2.375 . . . . 0.0 112.197 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -85.87 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.641 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.5 p -83.17 -18.58 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 377' ' ' ASN . . . . . 0.599 ' HA ' ' O ' ' B' ' 373' ' ' SER . 19.5 t30 70.18 40.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.578 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -141.57 137.88 32.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 379' ' ' TYR . . . . . 1.119 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 46.0 m-85 -65.7 140.41 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 380' ' ' ASP . . . . . 0.77 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.4 6.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.379 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 381' ' ' PRO . . . . . 1.142 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.4 Cg_exo -65.47 120.05 7.19 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.973 2.448 . . . . 0.0 112.317 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -41.55 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.968 2.446 . . . . 0.0 112.279 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.684 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.47 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 384' ' ' GLU . . . . . 0.581 ' H ' HD23 ' B' ' 383' ' ' LEU . 97.6 mt-10 -111.64 -72.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.07 66.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.491 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 387' ' ' ALA . . . . . 0.6 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -64.0 127.25 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.27 148.58 70.3 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 389' ' ' PRO . . . . . 0.456 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.8 Cg_endo -72.94 150.75 49.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.775 2.317 . . . . 0.0 112.146 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 95.5 p -52.72 142.89 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.76 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -67.85 -37.88 82.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -55.3 -36.85 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.5 -46.56 85.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.323 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.47 -31.89 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.323 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 397' ' ' GLU . . . . . 0.616 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.6 tt0 -67.81 -38.01 82.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.403 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.14 -40.32 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -36.98 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.93 94.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 401' ' ' ASN . . . . . 0.433 ' O ' ' OD2' ' B' ' 405' ' ' ASP . 57.6 m-80 -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.374 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -72.19 -40.34 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.362 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.99 78.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.26 -29.25 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.441 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 405' ' ' ASP . . . . . 0.483 ' O ' ' NH1' ' B' ' 408' ' ' ARG . 15.3 m-20 -54.6 -38.85 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 406' ' ' GLN . . . . . 0.418 ' O ' HD12 ' B' ' 410' ' ' LEU . 78.6 mt-30 -77.11 -32.86 56.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 407' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 0.1 OUTLIER -69.76 -18.6 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 408' ' ' ARG . . . . . 0.53 ' HA ' ' HD2' ' B' ' 412' ' ' PHE . 6.4 ptt-85 -83.85 -35.51 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.533 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 409' ' ' ASP . . . . . 0.463 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 32.4 t70 -85.14 -8.98 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 410' ' ' LEU . . . . . 0.679 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 32.4 mt -95.85 -17.88 20.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 411' ' ' TYR . . . . . 0.716 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.516 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.797 ' CD1' ' HG3' ' B' ' 436' ' ' LYS . 74.3 m-85 -100.61 -25.89 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 413' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 99.6 mt-10 63.47 24.38 14.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.606 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.73 -154.44 25.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 415' ' ' GLY . . . . . 0.8 ' HA3' ' HD3' ' B' ' 436' ' ' LYS . . . 76.32 -163.48 53.0 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.3 t -128.65 153.78 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.48 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 80.0 p -143.65 148.49 35.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.1 m -148.2 143.91 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.369 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.79 130.23 58.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.535 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.9 m-85 -128.46 132.39 48.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.334 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 8.8 mt -119.61 158.44 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 422' ' ' TRP . . . . . 0.969 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.9 p90 -154.52 110.58 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.51 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -43.04 159.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 424' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.6 mt -127.91 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 425' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 41.8 m-20 -87.31 -49.88 6.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.76 30.7 4.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.66 2.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -170.7 154.08 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 429' ' ' ALA . . . . . 0.969 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.99 172.83 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 430' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.69 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 431' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 9.8 p -130.09 126.36 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.52 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.29 113.68 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' B' ' 450' ' ' SER . 53.3 mt -102.87 143.16 32.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 434' ' ' ILE . . . . . 0.589 HG23 ' HZ3' ' B' ' 436' ' ' LYS . 0.3 OUTLIER -148.72 119.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 435' ' ' LYS . . . . . 0.639 ' O ' ' HD3' ' B' ' 436' ' ' LYS . 49.3 tttp -122.56 127.53 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 436' ' ' LYS . . . . . 0.8 ' HD3' ' HA3' ' B' ' 415' ' ' GLY . 8.6 mmtm -137.2 119.6 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.14 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.04 179.49 45.03 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -50.71 128.06 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.504 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.63 9.74 76.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 74.1 m -110.4 -4.22 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -89.23 153.89 20.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -56.91 -43.77 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.64 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 444' ' ' ILE . . . . . 0.43 HD12 ' ND2' ' A' ' 246' ' ' ASN . 14.7 tt -95.11 135.96 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -105.79 154.69 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.43 130.68 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.225 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 448' ' ' TRP . . . . . 0.554 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.3 t-105 -114.83 116.22 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 449' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.44 127.23 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.275 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 450' ' ' SER . . . . . 0.464 ' HB2' ' HB ' ' B' ' 434' ' ' ILE . 0.5 OUTLIER -115.96 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.911 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 95.5 mt -127.89 100.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.192 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 452' ' ' HIS . . . . . 0.498 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 2.6 m-70 -108.66 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.68 95.64 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.271 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 454' ' ' VAL . . . . . 0.431 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.4 p -96.74 153.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 455' ' ' GLU . . . . . 0.431 ' N ' HG22 ' B' ' 454' ' ' VAL . 96.3 mt-10 -131.83 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.339 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.9 t -79.03 139.69 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -123.54 68.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 458' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.0 mt-10 -40.33 146.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.588 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 459' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.5 mmtp -109.39 142.02 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -49.04 -54.12 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 35.1 p -126.73 146.55 50.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 462' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.76 48.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 59.11 -0.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.697 0.284 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 464' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 15.0 t -82.29 123.64 29.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 466' ' ' HIS . . . . . 0.528 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.5 t-160 -92.89 126.56 38.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.365 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -103.21 139.45 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.933 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -135.84 86.09 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.211 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 469' ' ' LEU . . . . . 0.782 HD12 ' H ' ' B' ' 470' ' ' THR . 28.4 tp -82.11 157.57 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 470' ' ' THR . . . . . 0.782 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.8 m -157.84 62.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.049 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 471' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 16.1 m -64.68 174.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 472' ' ' THR . . . . . 0.508 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.5 m -168.77 87.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.129 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 473' ' ' VAL . . . . . 0.415 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 91.7 t -69.66 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 474' ' ' MET . . . . . 0.439 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 11.6 mtp -124.81 95.95 4.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.167 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 475' ' ' LEU . . . . . 0.523 HD23 ' CE2' ' B' ' 532' ' ' TYR . 4.6 tp -86.59 131.14 34.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -125.29 130.32 51.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.226 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -137.41 124.59 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.937 0.398 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 478' ' ' GLN . . . . . 0.724 HE22 ' HB2' ' B' ' 488' ' ' ASN . 32.8 tp60 -138.14 158.14 44.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.414 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 479' ' ' THR . . . . . 0.611 ' N ' ' HG3' ' B' ' 478' ' ' GLN . 1.7 t -163.42 127.46 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.666 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 480' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 48.0 p30 -108.22 73.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 64.0 tttp -107.62 146.65 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 61.7 p -57.26 -46.01 83.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.64 -25.28 68.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' C ' ' B' ' 485' ' ' GLY . 6.3 t -125.86 14.81 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 110.629 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 486' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.2 m -126.01 114.0 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 487' ' ' MET . . . . . 0.619 ' O ' ' NE2' ' B' ' 478' ' ' GLN . 2.6 tmm? -125.11 118.1 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 488' ' ' ASN . . . . . 0.724 ' HB2' HE22 ' B' ' 478' ' ' GLN . 33.6 t-20 -119.01 123.99 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 489' ' ' LEU . . . . . 0.536 HD11 ' OH ' ' A' ' 247' ' ' TYR . 1.2 tt -131.68 76.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.84 21.78 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 491' ' ' GLY . . . . . 0.629 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.89 -142.68 11.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 492' ' ' SER . . . . . 0.629 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.6 p 163.26 135.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.54 149.46 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 494' ' ' THR . . . . . 0.508 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.6 m -127.14 142.91 51.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -150.0 128.74 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -92.87 160.51 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 12.3 ttp -160.06 130.46 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.671 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.55 141.64 47.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.25 145.84 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 500' ' ' ASP . . . . . 0.528 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.4 m-20 -91.28 125.23 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.484 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -120.7 160.12 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.4 m -94.2 131.83 39.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.63 122.43 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.653 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.86 -35.84 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.7 -19.82 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 6.8 t -135.52 73.48 62.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.596 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.53 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.763 2.309 . . . . 0.0 112.161 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.77 -62.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.5 mt -42.71 -49.11 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.24 71.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.93 -48.22 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.6 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.75 -46.56 74.11 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.33 -44.39 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.71 0.291 . . . . 0.0 110.699 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.15 -52.51 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.47 -47.21 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.82 -51.79 68.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.48 -37.56 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 37.5 tpp -64.31 -49.41 71.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.62 -45.24 93.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.721 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -56.93 -41.46 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.62 -38.46 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.45 -24.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 525' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' B' ' 525' ' ' ARG . 50.6 ttt-85 -68.7 -27.7 66.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 37.2 t -85.01 -38.69 18.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 14.4 m -66.04 -35.79 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 528' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 47.2 mt -64.93 -42.41 94.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.58 -31.27 70.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 530' ' ' GLU . . . . . 0.969 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.5 mt-10 -74.35 -54.48 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.39 -61.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 532' ' ' TYR . . . . . 0.687 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 14.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 533' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 534' ' ' GLY . . . . . 0.969 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.07 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 535' ' ' LYS . . . . . 0.52 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.2 tptm -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.687 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 67.1 p -34.8 -58.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.34 -53.27 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -53.2 -44.97 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 539' ' ' ILE . . . . . 0.447 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 94.4 mt -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.48 -41.95 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.77 -17.2 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.33 48.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.459 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 14.6 mt -68.1 -51.4 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 110.446 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 544' ' ' ARG . . . . . 0.733 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.78 170.12 16.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 545' ' ' SER . . . . . 0.733 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 36.1 t -142.2 137.9 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.19 -43.47 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -82.94 138.6 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 548' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.09 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 83.3 mt -79.51 112.69 30.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.558 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 550' ' ' PRO . . . . . 0.574 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.2 Cg_exo -46.51 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.846 2.364 . . . . 0.0 112.091 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.574 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.0 p-10 -25.25 145.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -129.87 116.16 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.26 -24.81 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.48 ' O ' HD13 ' B' ' 558' ' ' LEU . 44.2 mmtm -52.52 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.67 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -57.53 -46.9 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.751 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.88 -29.63 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 558' ' ' LEU . . . . . 0.48 HD13 ' O ' ' B' ' 554' ' ' LYS . 6.9 mp -77.84 -30.34 51.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -73.57 -36.32 65.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.23 -40.51 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.792 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 561' ' ' GLU . . . . . 0.595 ' O ' HG23 ' B' ' 565' ' ' VAL . 76.4 mt-10 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.887 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.9 mt -49.06 -40.76 32.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.656 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 563' ' ' SER . . . . . 0.795 ' O ' ' N ' ' B' ' 565' ' ' VAL . 60.7 m -61.15 -76.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.5 pt20 -36.67 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.887 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.6 t -72.09 -42.73 67.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.7 mt -81.42 -35.58 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 567' ' ' THR . . . . . 0.426 ' H ' HG23 ' B' ' 567' ' ' THR . 4.4 p -70.37 -19.51 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -117.56 6.6 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.3 ttt180 -160.98 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 570' ' ' GLN . . . . . 0.901 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.7 tt0 139.81 128.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.672 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 571' ' ' ILE . . . . . 0.901 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 54.1 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 601' ' ' MET . . . . . 0.733 ' O ' ' SG ' ' C' ' 602' ' ' CYS . 76.4 mmm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 602' ' ' CYS . . . . . 0.733 ' SG ' ' O ' ' C' ' 601' ' ' MET . 1.0 OUTLIER 62.19 5.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -49.83 -37.8 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 604' ' ' LYS . . . . . 0.531 ' NZ ' ' CE ' ' C' ' 607' ' ' MET . 0.0 OUTLIER -69.69 -52.25 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -55.11 -28.89 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 606' ' ' PHE . . . . . 0.66 ' CD2' ' SG ' ' C' ' 602' ' ' CYS . 0.9 OUTLIER -75.73 -53.59 8.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 607' ' ' MET . . . . . 0.531 ' CE ' ' NZ ' ' C' ' 604' ' ' LYS . 43.8 ttp -72.78 -36.83 67.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -56.8 -16.0 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 609' ' ' ALA . . . . . 0.571 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.4 -50.7 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.595 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 610' ' ' LEU . . . . . 0.735 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.6 mp -66.26 2.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 611' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' C' ' 609' ' ' ALA . 17.7 tptm -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 612' ' ' ASN . . . . . 0.48 ' ND2' ' OD1' ' C' ' 614' ' ' ASP . 25.7 t30 -70.38 -4.24 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 613' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.89 58.44 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 614' ' ' ASP . . . . . 0.48 ' OD1' ' ND2' ' C' ' 612' ' ' ASN . 6.5 m-20 -63.84 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.568 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 615' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.3 pp -44.97 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' C ' ' C' ' 614' ' ' ASP . 65.8 t0 -77.76 -27.46 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 617' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' C' ' 614' ' ' ASP . 21.0 tp10 -81.54 -49.88 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 618' ' ' VAL . . . . . 0.666 ' O ' ' CD2' ' C' ' 621' ' ' TYR . 2.3 m -62.86 -28.36 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.556 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 619' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.9 tttm -66.18 -21.89 66.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 620' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 93.1 m-20 -75.37 -45.38 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 621' ' ' TYR . . . . . 0.954 ' OH ' HG22 ' C' ' 628' ' ' VAL . 0.1 OUTLIER -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 622' ' ' VAL . . . . . 0.887 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.2 p -57.73 -27.85 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 623' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.74 -16.76 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -64.75 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.42 0.1 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.5 mt-10 34.24 95.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -141.03 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 628' ' ' VAL . . . . . 0.954 HG22 ' OH ' ' C' ' 621' ' ' TYR . 1.6 t -121.97 76.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -173.09 5.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 631' ' ' THR . . . . . 0.485 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.11 87.67 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 632' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' C' ' 631' ' ' THR . 48.1 tp -31.35 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.513 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 71.7 mm-40 -71.67 -76.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 634' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 635' ' ' GLY . . . -153.71 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 635' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 634' ' ' GLY . . . -163.43 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 636' ' ' ARG . . . . . 0.495 ' NH1' ' OH ' ' C' ' 641' ' ' TYR . 67.3 mtp180 -127.88 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 637' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.7 mptp? -108.38 157.01 37.56 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 638' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.3 Cg_endo -73.7 25.01 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.874 2.383 . . . . 0.0 112.103 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 639' ' ' LEU . . . . . 0.536 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.74 -16.36 10.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -75.22 -43.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 641' ' ' TYR . . . . . 0.495 ' OH ' ' NH1' ' C' ' 636' ' ' ARG . 66.0 m-85 -71.67 -36.0 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.464 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 642' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.99 75.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 643' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' C' ' 651' ' ' LEU . . . -69.05 -48.47 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.526 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 644' ' ' ASP . . . . . 0.498 ' OD2' ' OE2' ' C' ' 678' ' ' GLU . 2.9 t0 -60.6 -35.73 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.495 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 645' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 34.9 t -160.89 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.587 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 646' ' ' GLY . . . . . 0.681 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.01 34.13 4.46 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 647' ' ' GLN . . . . . 0.566 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 35.9 tt0 51.67 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.815 0.341 . . . . 0.0 110.577 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 648' ' ' LEU . . . . . 0.888 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.57 7.0 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 649' ' ' GLU . . . . . 0.404 ' C ' HD12 ' C' ' 650' ' ' ILE . 98.1 mt-10 -115.76 -12.64 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 650' ' ' ILE . . . . . 0.637 ' N ' HD12 ' C' ' 650' ' ' ILE . 1.2 mp -87.56 -36.13 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' C' ' 648' ' ' LEU . 0.2 OUTLIER -62.33 -52.91 61.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 652' ' ' GLU . . . . . 0.71 ' N ' HD12 ' C' ' 651' ' ' LEU . 12.1 pt-20 -56.21 -22.6 30.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.489 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 653' ' ' PHE . . . . . 0.972 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.2 t80 -75.81 -97.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 654' ' ' LEU . . . . . 0.502 ' N ' HD23 ' C' ' 654' ' ' LEU . 0.3 OUTLIER -41.39 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 655' ' ' LEU . . . . . 0.972 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.94 -47.89 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.26 -25.43 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.532 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 658' ' ' GLY . . . . . 0.599 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.35 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 659' ' ' ALA . . . . . 0.702 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.592 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 660' ' ' ASP . . . . . 0.529 ' HB2' HD12 ' C' ' 639' ' ' LEU . 18.0 m-20 -57.39 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 661' ' ' ILE . . . . . 0.702 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.8 tp -66.01 1.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 662' ' ' ASN . . . . . 1.098 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.6 m-20 -163.66 -18.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 663' ' ' ALA . . . . . 0.777 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.62 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 0.0 110.592 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 664' ' ' PRO . . . . . 1.098 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 76.4 Cg_exo -46.98 120.79 4.45 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.866 2.377 . . . . 0.0 112.18 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -125.85 -50.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 666' ' ' LYS . . . . . 0.402 ' CD ' ' N ' ' C' ' 666' ' ' LYS . 1.6 mptm? -78.84 -16.11 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 667' ' ' HIS . . . . . 0.497 ' O ' HG22 ' C' ' 669' ' ' ILE . 0.9 OUTLIER -80.49 -6.3 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.534 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 669' ' ' ILE . . . . . 0.497 HG22 ' O ' ' C' ' 667' ' ' HIS . 16.5 tt -176.88 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 670' ' ' THR . . . . . 0.405 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.21 168.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 671' ' ' PRO . . . . . 0.415 ' HG3' HD13 ' C' ' 639' ' ' LEU . 53.7 Cg_endo -72.48 -30.5 12.27 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.889 2.393 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 672' ' ' LEU . . . . . 0.774 HD12 HG13 ' C' ' 684' ' ' VAL . 0.4 OUTLIER -45.39 -49.09 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 673' ' ' LEU . . . . . 0.622 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.77 66.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 674' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.1 t -51.81 -40.91 61.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 675' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.52 -29.97 61.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 676' ' ' VAL . . . . . 0.622 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 17.9 t -47.19 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.78 39.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 678' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 62.3 mm-40 -124.47 -28.63 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.34 72.35 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 680' ' ' HIS . . . . . 0.895 ' O ' ' N ' ' C' ' 682' ' ' SER . 64.6 m80 -71.94 -53.53 12.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.29 -5.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 682' ' ' SER . . . . . 0.895 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.3 t -67.39 -24.24 65.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.618 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 683' ' ' CYS . . . . . 0.699 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 9.6 p -90.96 -48.71 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 684' ' ' VAL . . . . . 0.774 HG13 HD12 ' C' ' 672' ' ' LEU . 92.2 t -41.82 -34.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 685' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' C' ' 687' ' ' LEU . 99.0 mttt -62.49 -73.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 686' ' ' LEU . . . . . 0.552 ' N ' HD22 ' C' ' 686' ' ' LEU . 3.8 mm? -62.93 1.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 687' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.9 -70.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 688' ' ' LEU . . . . . 0.432 ' N ' HD12 ' C' ' 688' ' ' LEU . 10.8 mp -45.65 -21.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 689' ' ' SER . . . . . 0.428 ' N ' ' C ' ' C' ' 687' ' ' LEU . 13.2 m -55.72 -21.64 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -99.57 -6.31 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 691' ' ' GLY . . . . . 1.08 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.75 -74.92 0.42 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 692' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.22 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.636 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 693' ' ' ASP . . . . . 1.08 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.6 OUTLIER 33.06 -128.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -152.56 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.56 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 696' ' ' VAL . . . . . 0.442 HG22 ' OD2' ' C' ' 693' ' ' ASP . 5.5 t -93.43 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 697' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' C' ' 664' ' ' PRO . 0.4 OUTLIER -140.13 23.51 2.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.79 20.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 699' ' ' PRO . . . . . 0.642 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 74.8 Cg_exo -44.84 -27.68 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.162 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 700' ' ' ASP . . . . . 0.642 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.7 t70 157.69 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.85 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 702' ' ' LEU . . . . . 0.652 ' O ' ' C ' ' C' ' 703' ' ' THR . 2.9 tt -53.84 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 703' ' ' THR . . . . . 0.887 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 11.4 p 16.22 -95.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 704' ' ' ALA . . . . . 0.513 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.59 -18.67 13.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 705' ' ' LEU . . . . . 0.571 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 0.2 OUTLIER -62.82 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.76 15.2 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 707' ' ' ALA . . . . . 0.887 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 65.1 p -139.83 -142.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -148.78 -4.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.59 151.87 42.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -71.61 -20.43 61.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.33 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.683 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 713' ' ' ILE . . . . . 0.502 ' O ' HD21 ' C' ' 716' ' ' LEU . 7.8 mt -70.05 -37.67 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -52.04 -29.95 23.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.25 14.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 716' ' ' LEU . . . . . 0.845 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.3 OUTLIER -161.04 98.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.556 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 717' ' ' LEU . . . . . 0.845 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 12.9 mt 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 718' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 40.9 tt0 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 7' ' ' ARG . 56.9 ttt-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.8 p -54.07 94.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -45.94 162.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.607 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 14' ' ' VAL . 99.9 m-20 -64.92 -33.61 76.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -39.35 87.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.6 mt-10 -67.5 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -63.72 -35.88 82.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.5 t -65.33 -43.71 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.417 HH21 ' HG2' ' A' ' 12' ' ' GLU . 72.0 mtm180 -61.56 -39.75 92.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.722 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.38 -47.4 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.496 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.69 75.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.87 -41.36 91.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.15 -44.83 87.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.667 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.69 -46.44 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.2 p -76.06 8.49 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.77 15.35 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.91 81.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.13 167.48 21.75 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.843 2.362 . . . . 0.0 112.061 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.92 116.26 4.6 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.725 2.283 . . . . 0.0 112.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.11 21.48 35.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 41.3 mt-10 -149.33 37.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 0.0 110.551 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -73.95 -48.89 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -57.03 -57.42 12.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 39.9 mp0 -44.43 -54.43 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.548 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 36' ' ' VAL . 54.5 t -60.79 -42.57 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 37.0 t80 -59.16 -50.83 72.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.672 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -60.08 -37.93 81.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.09 -42.04 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 32' ' ' VAL . 94.3 t -67.07 -41.86 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.38 -54.82 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.2 mm? -59.32 -34.79 72.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.8 mt -73.17 -49.79 26.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.74 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.3 t30 46.61 49.72 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.545 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 29.0 t-20 -168.68 79.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -51.95 -37.82 54.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.21 -44.17 71.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.545 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 95.8 mt -77.25 -30.88 54.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.1 tp -62.69 -38.79 91.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.13 -35.55 80.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.649 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -40.97 -59.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.16 -56.8 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.47 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.36 -36.96 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.4 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.475 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.6 -56.57 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.564 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 69.0 tp60 -33.63 -45.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 91.4 t80 -60.0 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -46.91 -30.97 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' GLN . 82.4 mtp -68.84 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 57' ' ' TYR . 6.8 p-10 -67.9 10.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.617 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.4 mm100 -124.52 24.73 7.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.86 44.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.8 m -58.85 111.33 3.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.69 115.22 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.87 2.38 . . . . 0.0 112.22 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG22 ' N ' ' A' ' 66' ' ' LYS . 11.5 p -109.37 165.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.635 ' N ' HG22 ' A' ' 65' ' ' VAL . 60.1 tttm -125.19 103.96 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.885 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.639 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.885 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -77.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.08 0.32 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.44 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.598 ' C ' ' O ' ' A' ' 70' ' ' TYR . 65.7 t0 20.22 39.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 1.069 ' O ' ' N ' ' A' ' 74' ' ' VAL . 54.1 t0 -98.72 19.37 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.7 ' C ' ' O ' ' A' ' 72' ' ' ASP . 16.1 mm100 -0.2 50.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.069 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p -63.86 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.725 ' N ' HG22 ' A' ' 74' ' ' VAL . 57.3 mt -113.39 152.31 30.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.02 105.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.13 -176.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -78.82 -31.28 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -64.01 -23.56 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.65 50.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.46 99.92 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.627 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 86' ' ' ARG . 55.3 tp -49.62 -51.48 37.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.14 -0.73 25.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -116.11 1.26 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.19 -15.74 9.34 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.66 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.68 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.52 -170.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 62.0 mt -118.35 157.35 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.707 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 21.4 t0 -139.35 89.04 12.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.0 -36.65 81.72 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' A' ' 141' ' ' CYS . 86.4 mtt180 -59.46 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.477 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.664 ' OD1' HD13 ' A' ' 94' ' ' ILE . 2.7 t-20 -76.5 -20.37 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.513 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.707 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.2 mtmp? 62.73 62.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.664 HD13 ' OD1' ' A' ' 92' ' ' ASN . 24.5 pt -146.47 154.45 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.823 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 3.9 t -92.69 133.05 36.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.698 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.3 p90 -140.14 136.63 33.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 62.0 tttm -88.68 113.42 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.583 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.861 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.2 t80 -82.72 133.11 35.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.534 ' OD2' ' NE ' ' A' ' 102' ' ' ARG . 17.4 t0 -104.54 90.11 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.48 -67.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.4 mt -47.44 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 99' ' ' ASP . 85.6 mtm180 -52.76 156.3 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -88.84 2.24 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.19 150.22 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.861 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.824 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 66.6 m -95.56 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.854 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.78 54.5 0.28 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.823 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.0 Cg_endo -73.47 -177.84 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.879 2.386 . . . . 0.0 112.068 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 3.5 mt-30 -160.1 124.55 2.11 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.11 130.95 17.1 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.07 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -122.87 102.47 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -75.47 88.41 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.7 p -46.87 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.537 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -76.1 -30.07 58.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.86 35.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.73 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 34.6 tp -104.14 3.35 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 119' ' ' GLN . 4.5 mmtm -54.01 -41.88 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 76.0 mt-30 -39.19 -55.98 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.534 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -62.59 -47.55 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.0 tmm_? -53.89 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.7 m-20 -25.39 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.52 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.2 m -51.12 -48.55 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.443 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.4 t0 -40.4 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.0 m -47.93 -46.25 31.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.29 -51.42 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.81 -12.3 60.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.669 ' NH2' ' NZ ' ' A' ' 133' ' ' LYS . 27.4 ttt-85 -66.41 -32.7 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.67 -39.3 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.549 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.9 t80 -54.74 -38.81 67.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' A' ' 134' ' ' ASP . 86.1 t -74.68 -40.55 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.669 ' NZ ' ' NH2' ' A' ' 129' ' ' ARG . 95.1 mttt -76.2 26.03 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.532 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 79.7 m-20 -147.57 7.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.696 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 70.2 m80 -150.99 -21.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.7 m-85 -114.72 106.44 52.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.463 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.54 -57.27 2.29 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.82 2.347 . . . . 0.0 112.027 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -127.5 50.08 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.87 163.54 12.63 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 75' ' ' LEU . 50.3 m-85 -135.03 158.21 44.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.595 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -129.57 162.32 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 89.6 m -161.44 97.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.59 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 41.9 t -75.77 143.48 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.4 m-85 -120.25 124.33 45.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.81 84.51 0.37 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -123.77 167.32 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 t -107.53 115.38 30.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.586 HG22 ' OD2' ' A' ' 149' ' ' ASP . 12.4 mt -91.19 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.607 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.61 54.22 9.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.87 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -53.74 129.78 34.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.665 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.646 ' H ' HG21 ' A' ' 181' ' ' ILE . 78.8 mt-30 -85.8 150.5 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.378 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.711 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.18 22.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.48 109.95 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.445 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.3 mt -98.06 117.03 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.84 116.06 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.243 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 74.0 m -106.12 135.44 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.8 mt -122.81 137.74 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.218 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.517 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.33 151.9 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.739 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.91 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.209 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 161' ' ' HIS . . . . . 0.667 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.67 170.63 15.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.951 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -148.63 77.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.191 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.667 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.38 147.43 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.475 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.0 OUTLIER -167.97 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.341 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.6 Cg_endo -60.64 -52.16 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.818 2.345 . . . . 0.0 112.13 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.87 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.465 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 11.4 m120 -121.95 -10.46 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.822 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.5 m-85 70.01 80.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.822 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.6 p-90 158.72 127.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.754 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -135.97 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.87 163.12 29.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.617 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 27.9 ttp180 -165.74 136.67 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.351 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' TRP . . . . . 0.739 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.6 t-105 -107.62 138.89 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.509 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 54.7 mtm180 -125.36 152.27 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.233 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.31 111.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.099 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.629 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 79.9 tt0 -116.35 124.66 50.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.3 m95 -120.59 116.95 26.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.927 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -98.63 119.85 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.373 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.711 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.5 m-85 -117.49 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.375 . . . . 0.0 110.794 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 18.0 p -50.09 -130.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' ILE . . . . . 0.83 ' O ' HG23 ' A' ' 182' ' ' THR . 9.9 tp -164.32 151.35 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.911 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.42 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.452 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 1.069 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.8 Cg_exo -34.34 12.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.838 0 C-N-CA 123.46 2.774 . . . . 0.0 112.679 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 184' ' ' PRO . . . . . 0.911 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.9 Cg_endo -79.86 -4.29 13.3 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.826 2.351 . . . . 0.0 112.136 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' THR . . . . . 1.082 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.263 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.181 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.93 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.943 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 1.047 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.5 mt-30 -106.76 -115.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.241 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' ALA . . . . . 0.76 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.429 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.71 115.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.535 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 192' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.6 157.84 20.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -150.36 147.82 28.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 194' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 68.6 mt -149.46 134.07 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.226 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.35 130.23 21.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.711 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.62 136.66 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.171 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 197' ' ' HIS . . . . . 0.759 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.53 141.58 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.961 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 198' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 44.7 t80 -145.58 87.13 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.772 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.7 p90 -100.06 87.76 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 200' ' ' GLU . . . . . 0.798 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.3 tt0 -129.43 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.292 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 201' ' ' ASP . . . . . 0.798 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.8 m-20 114.82 2.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.65 -129.08 1.08 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 203' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.6 t30 -172.84 99.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.1 t -127.06 129.14 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.519 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 205' ' ' GLN . . . . . 0.711 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 31.5 mt-30 -136.74 154.21 50.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 21.3 tp -122.31 87.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.7 t -90.06 122.19 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 23.3 t -149.56 147.25 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.957 0.408 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 209' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 209' ' ' HIS . 19.6 p-80 -157.86 145.1 18.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.229 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -135.43 129.04 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.924 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 211' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 191' ' ' VAL . 65.7 m-20 -103.57 129.82 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.241 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 212' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 213' ' ' GLN . 95.9 mt -127.19 154.85 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 213' ' ' GLN . . . . . 0.448 ' N ' HG22 ' A' ' 212' ' ' ILE . 58.6 tt0 -150.15 102.64 3.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.377 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 214' ' ' ASP . . . . . 0.651 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.7 t0 -118.89 166.1 13.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.685 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 215' ' ' SER . . . . . 1.047 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 25.7 p -117.8 103.4 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 216' ' ' VAL . . . . . 1.181 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.95 165.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 217' ' ' GLN . . . . . 1.082 ' HA ' ' O ' ' A' ' 185' ' ' THR . 8.0 pt20 -102.62 128.05 49.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 218' ' ' VAL . . . . . 1.131 HG23 ' HB2' ' A' ' 186' ' ' ALA . 65.1 t -86.03 137.53 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.634 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.959 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.05 -99.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 220' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 224' ' ' THR . 0.2 OUTLIER -100.25 -163.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 221' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.5 p-10 -86.87 -62.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.492 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 97.9 t -70.13 -24.67 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 226' ' ' LYS . 36.4 mt-30 -73.98 -56.73 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.52 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.959 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.2 p -54.68 -36.87 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.07 14.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 226' ' ' LYS . . . . . 0.568 ' HG3' ' N ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -57.07 -30.56 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.412 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.568 ' N ' ' HG3' ' A' ' 226' ' ' LYS . 72.9 tt0 -67.59 -38.78 84.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.433 ' CE1' HG11 ' A' ' 216' ' ' VAL . 37.5 m-85 -67.72 -53.92 23.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.398 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 229' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 229' ' ' ILE . 1.7 mp -52.23 -27.27 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.399 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -74.9 -36.67 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.359 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 231' ' ' ILE . . . . . 0.414 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.7 mt -67.52 -41.15 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.474 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 232' ' ' ILE . . . . . 0.45 HG12 ' CD2' ' A' ' 177' ' ' TRP . 55.1 mt -70.1 -44.49 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.384 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.1 -47.01 82.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -69.58 -43.95 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.96 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.425 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -60.18 -44.09 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.448 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 237' ' ' ASN . . . . . 0.428 ' OD1' ' NH2' ' B' ' 544' ' ' ARG . 94.1 m-20 -60.06 -40.18 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.52 -44.38 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -68.18 -38.97 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 241' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 20.1 m -61.5 -45.73 92.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.521 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.7 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.2 -47.5 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.67 -34.21 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.89 -42.96 84.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 246' ' ' ASN . . . . . 0.533 ' OD1' ' NZ ' ' B' ' 481' ' ' LYS . 97.9 m-20 -62.12 -34.53 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 247' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.95 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -73.25 -50.91 19.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 249' ' ' THR . . . . . 0.834 ' HA ' ' OD1' ' A' ' 252' ' ' ASP . 7.0 m -64.74 -34.82 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 36.6 mtt -72.88 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.9 p -113.0 -10.1 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 252' ' ' ASP . . . . . 0.834 ' OD1' ' HA ' ' A' ' 249' ' ' THR . 19.7 p-10 -132.12 47.79 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 253' ' ' THR . . . . . 0.619 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.3 m 175.73 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 254' ' ' THR . . . . . 0.546 ' N ' HG22 ' A' ' 253' ' ' THR . 12.3 m -53.42 -61.32 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -47.69 -57.48 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.22 -11.77 34.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.3 -18.23 30.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.0 -91.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 259' ' ' ARG . . . . . 0.701 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.0 ttt180 -98.64 174.5 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 260' ' ' ARG . . . . . 0.701 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 10.6 tpp180 -109.2 153.23 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 261' ' ' GLN . . . . . 0.413 ' O ' HD12 ' A' ' 262' ' ' LEU . 47.4 tt0 -83.71 -11.24 57.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.61 133.24 3.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 263' ' ' PRO . . . . . 0.71 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.6 Cg_exo -43.95 135.43 7.82 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.913 2.408 . . . . 0.0 112.072 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 264' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 263' ' ' PRO . 78.7 t -37.84 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 69.8 p -64.19 -5.44 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.624 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 266' ' ' ARG . . . . . 0.667 ' N ' ' O ' ' A' ' 263' ' ' PRO . 31.2 ttm180 54.13 55.62 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 55.7 mtpt -16.8 131.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 269' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.6 OUTLIER -50.25 158.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' A' ' 273' ' ' LYS . 88.6 m-20 -117.11 58.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 271' ' ' TRP . . . . . 0.599 ' C ' ' O ' ' A' ' 270' ' ' ASP . 82.3 m95 -21.49 -55.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 272' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 270' ' ' ASP . 21.6 t-20 -44.62 -25.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 273' ' ' LYS . . . . . 1.256 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -99.97 -7.7 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.626 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 274' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 274' ' ' ILE . 55.6 mt -103.15 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 275' ' ' LEU . . . . . 0.721 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.6 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.561 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 276' ' ' SER . . . . . 1.289 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.93 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 1.256 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.9 t80 -30.95 43.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 278' ' ' LYS . . . . . 1.289 ' N ' ' O ' ' A' ' 276' ' ' SER . 68.9 mttm -107.67 80.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 91.7 mt 54.19 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.14 0.0 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 49.5 tttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.549 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 302' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 46.1 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -42.75 -51.2 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -55.33 -34.2 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.462 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 305' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.3 mt-30 -60.69 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.485 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.27 -40.62 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.407 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.9 -40.83 95.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.397 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 97.5 m -68.05 -37.21 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.422 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 309' ' ' ALA . . . . . 0.715 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.346 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.32 -38.36 84.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.415 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.33 -33.64 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.37 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.86 -43.66 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.361 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.42 -25.58 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.391 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 314' ' ' ARG . . . . . 0.41 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 82.1 mtm180 -82.28 -12.41 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 315' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' B' ' 315' ' ' ARG . 50.3 mtt-85 -100.09 -46.82 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.6 147.75 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.7 128.49 21.37 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.836 2.357 . . . . 0.0 112.0 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 318' ' ' PRO . . . . . 0.436 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.1 Cg_endo -71.48 -4.1 14.34 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.896 2.397 . . . . 0.0 112.048 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -80.52 -17.83 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -123.91 39.42 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 321' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' B' ' 318' ' ' PRO . 89.3 mt -63.36 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.4 42.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.66 -55.8 25.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.555 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 44.7 tp -47.11 -48.98 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.404 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.08 -49.75 74.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.29 -40.78 97.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 328' ' ' LEU . . . . . 0.715 HD21 ' HB1' ' B' ' 309' ' ' ALA . 48.4 tp -55.5 -41.04 72.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.492 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -41.12 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.81 -37.93 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.424 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.26 -29.09 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.429 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.52 84.59 9.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -68.09 -5.58 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.736 2.291 . . . . 0.0 112.072 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 90.5 p -89.34 -6.45 56.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 98.2 mt -119.05 20.86 12.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 336' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' B' ' 340' ' ' LEU . 10.9 t -64.07 -55.92 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.32 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.74 -36.17 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.51 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 60.9 mt -79.08 -28.62 43.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.0 mt -81.51 12.46 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.572 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 54.4 p -144.17 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 53.4 p -119.37 -15.51 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.85 120.0 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.502 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -87.79 128.64 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.555 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.98 28.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.44 125.25 5.84 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.799 2.333 . . . . 0.0 112.149 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 347' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 347' ' ' LEU . 97.1 mt -66.67 122.49 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.681 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.6 148.79 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.465 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 16.7 pt -102.96 136.38 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.755 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 350' ' ' ALA . . . . . 0.731 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -114.33 143.34 45.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.97 ' O ' ' N ' ' B' ' 356' ' ' GLY . 50.2 t0 -111.87 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.498 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 68.6 mmtt -37.31 -62.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 354' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' B' ' 353' ' ' LYS . 94.8 t -39.48 -52.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.639 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.0 t -93.0 -25.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 356' ' ' GLY . . . . . 0.97 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.7 70.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 357' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 352' ' ' ASP . 97.9 mttt -115.12 154.93 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 358' ' ' ASP . . . . . 0.731 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 34.1 m-20 -94.8 143.07 26.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.691 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.7 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.13 156.66 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.496 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.9 mt -108.59 158.55 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 362' ' ' CYS . . . . . 0.537 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.6 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 25.9 t70 -75.49 -10.32 59.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 364' ' ' TYR . . . . . 0.485 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 36.6 m-85 -88.34 -18.17 29.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 365' ' ' ASN . . . . . 0.537 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 37.3 p-10 -123.27 24.76 8.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 366' ' ' ARG . . . . . 0.514 HH22 HD13 ' B' ' 340' ' ' LEU . 31.3 ttp180 -119.96 129.84 54.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.18 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 79.98 -98.71 1.73 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -126.31 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.561 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 370' ' ' SER . . . . . 1.039 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 19.8 p -122.38 161.33 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 371' ' ' TYR . . . . . 1.141 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.8 m-85 -118.25 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 372' ' ' ARG . . . . . 0.586 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.2 ttp180 -98.72 124.72 43.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 373' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 35.2 t -79.61 133.79 58.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.859 2.373 . . . . 0.0 112.238 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -85.89 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 69.5 p -83.15 -18.6 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 377' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' B' ' 373' ' ' SER . 9.9 t30 70.27 40.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -141.55 137.87 32.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 379' ' ' TYR . . . . . 1.141 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 44.1 m-85 -65.72 140.45 58.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.672 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 380' ' ' ASP . . . . . 0.749 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.94 -60.45 6.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.378 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 381' ' ' PRO . . . . . 1.039 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.44 120.05 7.18 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.005 2.47 . . . . 0.0 112.269 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.54 79.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.955 2.437 . . . . 0.0 112.328 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.632 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.48 177.56 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.51 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 384' ' ' GLU . . . . . 0.616 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.618 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.98 65.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.523 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.17 151.72 47.44 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 387' ' ' ALA . . . . . 0.553 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.97 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.592 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 46.1 mtm -132.23 148.55 70.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 389' ' ' PRO . . . . . 0.463 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.6 Cg_endo -72.93 150.73 49.58 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.815 2.343 . . . . 0.0 112.144 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 90.9 p -52.68 142.9 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.537 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.91 -37.79 82.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.501 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.0 tp -70.89 -42.47 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.571 ' CZ ' ' ND2' ' B' ' 377' ' ' ASN . 44.2 ttm180 -55.32 -36.78 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -63.55 -46.56 85.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -32.0 73.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 397' ' ' GLU . . . . . 0.586 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.4 tt0 -67.82 -37.99 82.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.08 -40.3 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.72 -37.02 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.408 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 401' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.98 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.318 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.18 -40.35 68.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.374 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.34 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 405' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 22.0 m-20 -54.61 -38.83 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.453 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -77.08 -32.89 57.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 407' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 2.1 t80 -69.69 -18.68 63.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 408' ' ' ARG . . . . . 0.915 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.6 OUTLIER -83.8 -35.49 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.537 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 409' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 3.0 t0 -85.17 -8.94 58.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 410' ' ' LEU . . . . . 0.677 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.3 mt -95.86 -17.9 20.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 411' ' ' TYR . . . . . 0.71 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.02 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.2 m-85 -100.63 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.556 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 63.47 24.38 14.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 414' ' ' GLY . . . . . 0.51 ' O ' ' NE ' ' B' ' 408' ' ' ARG . . . 162.71 -154.45 25.41 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 415' ' ' GLY . . . . . 0.915 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.36 -163.5 52.97 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 7.9 t -128.6 153.76 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 18.3 p -143.65 148.48 35.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.675 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 22.7 m -148.2 143.9 27.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.84 130.25 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.755 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.543 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.6 m-85 -128.44 132.38 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.401 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.1 mt -119.61 158.43 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.74 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 422' ' ' TRP . . . . . 0.962 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.8 p90 -154.47 110.5 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.547 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -43.05 159.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.641 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 424' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.1 mt -127.83 -147.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 425' ' ' ASP . . . . . 0.457 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 34.2 m-20 -87.35 -49.86 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -129.78 30.66 4.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.67 2.56 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.66 154.08 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 429' ' ' ALA . . . . . 0.962 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 430' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.67 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.9 p -130.06 126.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.39 113.69 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.4 mt -102.93 143.18 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 434' ' ' ILE . . . . . 0.472 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.7 mt -148.71 119.89 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -122.55 127.53 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 436' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.16 119.57 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.85 138.14 40.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.636 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.43 45.22 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.64 128.0 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.603 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.61 9.8 75.82 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 12.7 t -110.37 -4.27 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.474 ' CE ' ' OD2' ' C' ' 644' ' ' ASP . 93.9 mttt -89.18 153.86 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.513 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -56.9 -43.8 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.658 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 64.4 mt -95.15 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.705 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.84 154.69 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.67 152.41 24.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 4.0 t -149.46 130.6 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.21 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 448' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.6 t-105 -114.76 116.24 28.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 449' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.5 127.16 54.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 450' ' ' SER . . . . . 0.482 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.4 m -115.89 122.76 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.968 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.94 100.8 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.3 m-70 -108.67 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.75 95.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 454' ' ' VAL . . . . . 0.424 HG22 ' N ' ' B' ' 455' ' ' GLU . 10.0 p -96.68 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 455' ' ' GLU . . . . . 0.424 ' N ' HG22 ' B' ' 454' ' ' VAL . 96.5 mt-10 -131.79 102.2 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.328 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.4 t -79.1 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 458' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.7 mt-10 -40.31 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.671 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 459' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' B' ' 464' ' ' THR . 65.1 tttm -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.0 -54.14 16.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.626 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.73 146.56 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 462' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.34 -12.82 47.99 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 463' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' B' ' 463' ' ' ARG . 0.9 OUTLIER 59.16 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.668 0.27 . . . . 0.0 110.56 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 464' ' ' THR . . . . . 0.514 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.5 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 465' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.745 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 466' ' ' HIS . . . . . 0.534 ' ND1' ' OD1' ' B' ' 500' ' ' ASP . 0.8 OUTLIER -92.97 126.54 38.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.14 139.45 38.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.954 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -135.82 86.13 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.203 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 469' ' ' LEU . . . . . 0.747 HD12 ' H ' ' B' ' 470' ' ' THR . 27.6 tp -82.12 157.59 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 470' ' ' THR . . . . . 0.747 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.9 m -157.86 62.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.066 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 471' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 17.9 m -64.64 174.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.127 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 472' ' ' THR . . . . . 0.51 HG23 ' OG1' ' B' ' 494' ' ' THR . 54.2 m -168.79 87.54 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.135 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 473' ' ' VAL . . . . . 0.457 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 96.0 t -69.65 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 474' ' ' MET . . . . . 0.463 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.1 mtp -124.81 95.98 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.175 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 475' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.6 tp -86.64 131.21 34.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 476' ' ' TRP . . . . . 0.503 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 51.6 m95 -125.31 130.21 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.241 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 44.6 mt -137.36 124.67 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.759 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.406 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 479' ' ' THR . . . . . 0.596 HG22 ' HB3' ' B' ' 487' ' ' MET . 7.5 t -163.42 127.47 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.691 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 480' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.15 73.74 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 481' ' ' LYS . . . . . 0.88 ' O ' ' N ' ' B' ' 485' ' ' GLY . 50.8 mtmt -107.56 146.69 31.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.31 -45.94 83.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.68 -25.24 68.77 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 484' ' ' SER . . . . . 0.455 ' O ' ' N ' ' B' ' 486' ' ' THR . 25.9 p -125.91 14.83 7.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 485' ' ' GLY . . . . . 0.88 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.6 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 486' ' ' THR . . . . . 0.455 ' N ' ' O ' ' B' ' 484' ' ' SER . 16.0 p -126.04 113.94 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 487' ' ' MET . . . . . 0.596 ' HB3' HG22 ' B' ' 479' ' ' THR . 13.6 ttt -125.06 118.06 25.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -119.0 124.04 46.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 489' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 14.7 tp -131.7 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.36 -163.86 21.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 491' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.64 11.06 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 492' ' ' SER . . . . . 0.63 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 77.8 p 163.19 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.484 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.51 149.48 30.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.623 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 494' ' ' THR . . . . . 0.51 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.7 m -127.12 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -149.96 128.77 12.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -92.88 160.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.494 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 36.6 tpp -160.06 130.39 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -133.5 141.65 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -172.25 145.81 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 500' ' ' ASP . . . . . 0.534 ' OD1' ' ND1' ' B' ' 466' ' ' HIS . 41.6 m-20 -91.25 125.2 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -120.72 160.17 23.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.5 m -94.22 131.81 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.58 122.39 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 91.0 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.97 -35.85 77.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.64 -19.85 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 28.4 t -135.49 73.5 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.616 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.59 -172.6 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.785 2.324 . . . . 0.0 112.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -58.78 -62.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.67 -49.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.16 72.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.65 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -63.02 -48.16 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.63 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.54 74.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -57.37 -44.31 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.17 -52.57 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.589 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.45 -47.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -57.96 -51.68 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.49 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.8 tpp -64.35 -49.39 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.58 -45.29 93.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -56.87 -41.43 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.64 -38.5 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.38 -24.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 525' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' B' ' 525' ' ' ARG . 55.1 ttt-85 -68.74 -27.64 66.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.8 t -84.99 -38.79 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.643 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.0 m -66.08 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.641 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 528' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 37.1 mt -64.97 -42.36 94.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 530' ' ' GLU . . . . . 0.956 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.34 -54.48 7.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.625 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 532' ' ' TYR . . . . . 0.704 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 13.3 m-85 -50.28 -86.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 533' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.42 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.575 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 534' ' ' GLY . . . . . 0.956 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 535' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.8 tptt -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -58.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -50.39 -53.21 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -53.26 -44.93 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 539' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 89.3 mt -61.7 -36.1 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.38 -42.05 92.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.32 48.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.463 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 15.1 mt -68.16 -51.35 46.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.726 0.298 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 544' ' ' ARG . . . . . 0.762 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.86 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 545' ' ' SER . . . . . 0.762 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 39.9 t -142.17 137.87 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.553 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.14 -43.52 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -82.86 138.62 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 548' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.47 122.1 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 551' ' ' ASP . 86.9 mt -79.47 112.73 31.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 550' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.0 Cg_exo -46.65 80.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.862 2.375 . . . . 0.0 112.087 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.565 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.31 145.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -129.91 116.14 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -85.23 -24.78 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 558' ' ' LEU . 65.8 tttm -52.58 -64.19 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -45.19 -56.66 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.706 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.58 -46.94 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.748 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 557' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.8 tm0? -65.77 -29.69 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 558' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 554' ' ' LYS . 40.9 tp -77.84 -30.27 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.62 -36.37 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.19 -40.52 81.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 561' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.6 mt-10 -67.8 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.893 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 85.1 mt -49.14 -40.64 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.7 m -61.23 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 16.9 pt20 -36.66 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.893 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 23.6 t -72.17 -42.67 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.587 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.3 mt -81.44 -35.64 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 567' ' ' THR . . . . . 0.408 ' H ' HG23 ' B' ' 567' ' ' THR . 4.4 p -70.23 -19.63 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -117.47 6.6 12.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.0 ttt180 -160.95 -141.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 570' ' ' GLN . . . . . 0.815 ' O ' HG22 ' B' ' 571' ' ' ILE . 39.3 tt0 139.72 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 571' ' ' ILE . . . . . 0.815 HG22 ' O ' ' B' ' 570' ' ' GLN . 3.0 tp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 75.1 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 4.2 m 62.13 5.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 603' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' C' ' 603' ' ' ASP . 67.6 t0 -49.87 -37.77 32.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.66 -52.29 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.0 -28.98 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -75.61 -53.73 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 607' ' ' MET . . . . . 0.494 ' HG3' HD21 ' C' ' 632' ' ' LEU . 3.3 tmm? -72.7 -36.9 67.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -56.76 -15.97 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.578 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 609' ' ' ALA . . . . . 0.434 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.51 -50.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 610' ' ' LEU . . . . . 0.673 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.5 mp -66.36 2.06 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 611' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.9 tttm -102.13 -66.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -70.4 -4.21 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 613' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.94 58.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 614' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.3 m-20 -63.91 49.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.532 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 615' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.2 pp -45.06 -17.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 616' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' C' ' 614' ' ' ASP . 48.7 t0 -77.71 -27.56 50.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 617' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.6 tp10 -81.52 -49.78 10.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -28.43 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 619' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 36.6 ttmt -66.14 -21.88 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 620' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 96.5 m-20 -75.41 -45.39 39.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 621' ' ' TYR . . . . . 0.407 ' OH ' ' OD2' ' C' ' 627' ' ' ASP . 62.0 t80 -60.94 -59.17 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 10.3 m -57.71 -27.89 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 623' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.8 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -64.77 -76.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 625' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.86 82.45 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 626' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' C' ' 625' ' ' GLY . 9.5 tm-20 34.17 95.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 627' ' ' ASP . . . . . 0.407 ' OD2' ' OH ' ' C' ' 621' ' ' TYR . 64.9 t0 -140.96 62.65 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 628' ' ' VAL . . . . . 0.515 HG21 ' H ' ' C' ' 658' ' ' GLY . 10.3 m -121.98 77.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -173.09 5.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 630' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' C' ' 631' ' ' THR . 40.4 ttm180 -79.06 166.89 21.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.474 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.07 87.59 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.633 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 47.0 tp -31.27 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.69 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.423 ' OE1' HG13 ' A' ' 264' ' ' VAL . 6.9 tp10 -71.72 -76.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 634' ' ' GLY . . . . . 0.418 ' CA ' HH21 ' A' ' 266' ' ' ARG . . . -153.74 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 635' ' ' GLY . . . . . 0.531 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.78 0.18 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.92 164.88 21.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 637' ' ' LYS . . . . . 0.577 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.99 37.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 638' ' ' PRO . . . . . 0.475 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.5 Cg_endo -73.67 25.04 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.846 2.364 . . . . 0.0 112.111 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 639' ' ' LEU . . . . . 0.72 HD23 ' HG3' ' C' ' 671' ' ' PRO . 13.9 tp -117.72 -16.36 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 640' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' C' ' 674' ' ' SER . 86.3 t60 -75.23 -43.85 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.524 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -71.67 -35.92 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.557 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 642' ' ' ALA . . . . . 0.678 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.93 -44.99 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 644' ' ' ASP . . . . . 0.594 ' O ' ' OD1' ' C' ' 644' ' ' ASP . 27.4 t0 -60.67 -35.64 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.545 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 645' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.0 p -160.9 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 646' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.05 4.49 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 647' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.9 mm100 51.74 4.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 648' ' ' LEU . . . . . 0.973 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 7.01 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.526 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -115.74 -12.61 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 650' ' ' ILE . . . . . 0.865 ' O ' HD12 ' C' ' 654' ' ' LEU . 1.3 mm -87.47 -36.24 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 1.111 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.36 -52.88 61.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.558 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 652' ' ' GLU . . . . . 0.743 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 72.0 mm-40 -56.22 -22.61 30.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 653' ' ' PHE . . . . . 0.975 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.2 OUTLIER -75.78 -97.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.608 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 654' ' ' LEU . . . . . 0.978 HD22 ' O ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.41 6.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.622 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 655' ' ' LEU . . . . . 0.975 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.4 tp -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.19 -25.47 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.73 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 658' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.38 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 659' ' ' ALA . . . . . 0.713 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.09 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.563 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 660' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' C' ' 662' ' ' ASN . 97.7 m-20 -57.34 10.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 661' ' ' ILE . . . . . 0.713 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.6 tt -66.08 1.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 662' ' ' ASN . . . . . 1.113 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 49.6 p30 -163.63 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 663' ' ' ALA . . . . . 0.773 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.06 -33.69 0.28 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 664' ' ' PRO . . . . . 1.113 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 74.7 Cg_exo -46.93 120.87 4.48 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.834 2.356 . . . . 0.0 112.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -125.94 -50.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -78.79 -16.08 57.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 667' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.52 -6.28 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 668' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' C' ' 667' ' ' HIS . 51.0 p-80 40.62 37.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 669' ' ' ILE . . . . . 0.477 HG22 ' O ' ' C' ' 667' ' ' HIS . 15.7 tt -176.86 147.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.15 168.67 10.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 671' ' ' PRO . . . . . 0.72 ' HG3' HD23 ' C' ' 639' ' ' LEU . 37.1 Cg_endo -72.47 -30.5 12.31 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 672' ' ' LEU . . . . . 0.53 HD12 HD23 ' C' ' 687' ' ' LEU . 7.6 tt -45.35 -49.11 13.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 673' ' ' LEU . . . . . 0.616 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 8.4 mp -67.83 -27.78 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 674' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.4 t -51.77 -40.89 61.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 675' ' ' ALA . . . . . 0.608 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.54 -29.97 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 676' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 20.8 t -47.24 -66.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 677' ' ' TYR . . . . . 0.564 ' CZ ' ' OG1' ' A' ' 249' ' ' THR . 0.1 OUTLIER -77.76 39.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 678' ' ' GLU . . . . . 0.608 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 71.3 mm-40 -124.54 -28.65 3.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.29 -11.35 72.32 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 66.7 m80 -71.93 -53.57 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.593 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 681' ' ' VAL . . . . . 0.754 ' O ' HG22 ' C' ' 684' ' ' VAL . 5.3 m 43.28 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.9 m -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 683' ' ' CYS . . . . . 0.659 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.6 p -90.93 -48.65 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 684' ' ' VAL . . . . . 0.754 HG22 ' O ' ' C' ' 681' ' ' VAL . 3.7 m -41.93 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 685' ' ' LYS . . . . . 0.851 ' O ' HD12 ' C' ' 688' ' ' LEU . 64.0 tttp -62.52 -73.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.99 1.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 687' ' ' LEU . . . . . 0.53 HD23 HD12 ' C' ' 672' ' ' LEU . 34.9 tp -81.85 -70.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 688' ' ' LEU . . . . . 1.347 HD13 ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.7 -21.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.516 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 689' ' ' SER . . . . . 1.347 ' N ' HD13 ' C' ' 688' ' ' LEU . 58.2 m -55.81 -21.51 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -99.64 -6.33 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 691' ' ' GLY . . . . . 1.087 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.87 0.42 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 692' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 110.579 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 693' ' ' ASP . . . . . 1.087 ' N ' ' O ' ' C' ' 691' ' ' GLY . 39.4 t0 33.12 -128.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 694' ' ' LYS . . . . . 0.493 ' O ' HG23 ' C' ' 695' ' ' THR . 24.6 pttm -152.51 -23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 695' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 694' ' ' LYS . 25.4 p -156.49 73.48 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.51 -29.6 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -140.14 23.5 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.626 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.76 20.36 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 699' ' ' PRO . . . . . 0.659 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 83.1 Cg_exo -44.82 -27.71 2.58 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.881 2.387 . . . . 0.0 112.114 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 700' ' ' ASP . . . . . 0.659 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 35.0 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 701' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 702' ' ' LEU . . . . . 0.646 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.0 tp -53.8 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.587 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 703' ' ' THR . . . . . 0.888 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 0.0 OUTLIER 16.19 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.585 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 704' ' ' ALA . . . . . 0.55 ' H ' HG23 ' C' ' 703' ' ' THR . . . -106.62 -18.64 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 705' ' ' LEU . . . . . 0.563 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.8 tp -62.89 -75.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.596 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.77 15.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 707' ' ' ALA . . . . . 0.888 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 708' ' ' THR . . . . . 0.437 HG22 ' H ' ' C' ' 709' ' ' ASP . 0.4 OUTLIER -139.76 -142.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.623 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 709' ' ' ASP . . . . . 0.437 ' H ' HG22 ' C' ' 708' ' ' THR . 54.5 p30 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -72.56 151.79 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -71.49 -20.51 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.4 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.99 -37.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -52.06 -29.93 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.18 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 716' ' ' LEU . . . . . 1.053 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.9 tp -161.08 98.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 717' ' ' LEU . . . . . 1.053 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.5 mp 124.14 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.597 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 718' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 7.5 tp-100 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.625 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.434 ' NH1' ' HG2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 8' ' ' VAL . 13.6 p -54.14 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.74 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -45.9 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.1 m-20 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.51 -39.3 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -41.0 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.69 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 10' ' ' ASP . 76.8 t -65.25 -43.78 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' NH2' ' CB ' ' A' ' 18' ' ' ALA . 8.8 tpm_? -61.53 -39.73 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.39 -47.45 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.93 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' CB ' ' NH2' ' A' ' 15' ' ' ARG . . . -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 38.2 ttmt -65.91 -41.28 91.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.51 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -65.24 -44.84 86.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.5 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.404 HG21 ' OE1' ' A' ' 56' ' ' GLN . 52.1 p -75.98 8.4 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.69 15.3 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.95 81.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 15.9 Cg_endo -68.19 167.52 21.77 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.819 2.346 . . . . 0.0 112.061 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 53.5 Cg_endo -70.95 116.25 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.691 2.26 . . . . 0.0 112.125 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.14 21.47 35.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 55.7 mp0 -149.3 37.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 54.7 p90 -73.93 -48.82 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.546 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.614 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 24.2 p-10 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.535 ' CD ' HH21 ' B' ' 315' ' ' ARG . 97.6 mt-10 -44.5 -54.42 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 36' ' ' VAL . 53.6 t -60.85 -42.44 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 31.9 t80 -59.2 -50.9 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -60.04 -37.87 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -64.16 -42.05 96.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 32' ' ' VAL . 97.0 t -66.97 -41.91 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.35 -54.8 41.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD13 ' SG ' ' B' ' 308' ' ' CYS . 58.1 mt -59.35 -34.75 72.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.27 -49.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HD22 ' B' ' 331' ' ' LEU . 13.4 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.62 49.7 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.481 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 67.0 m-20 -168.63 79.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.89 -37.92 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -54.11 -44.18 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.3 -30.84 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.57 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 39.7 tp -62.7 -38.74 91.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.586 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -66.21 -35.53 80.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -40.94 -59.86 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.85 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.12 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.52 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.517 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -54.26 -37.08 64.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.586 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.42 -54.41 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.6 -56.6 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.537 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 51.5 tt0 -33.55 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.08 -72.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.558 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -46.95 -30.89 2.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 61' ' ' GLN . 83.1 mtp -68.9 -66.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -67.85 9.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 12.2 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 83.1 m-85 23.95 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 28.1 m -58.85 111.3 3.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.616 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.64 115.19 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.897 2.398 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.632 HG22 ' N ' ' A' ' 66' ' ' LYS . 10.6 p -109.34 165.93 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.632 ' N ' HG22 ' A' ' 65' ' ' VAL . 63.0 tttm -125.19 103.98 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.654 ' O ' ' C ' ' A' ' 68' ' ' GLU . 44.5 mt -51.54 148.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.631 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.654 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.3 tm-20 -13.24 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.514 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.11 0.32 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.796 ' O ' ' N ' ' A' ' 72' ' ' ASP . 64.3 m-85 -137.48 14.75 2.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.582 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 70' ' ' TYR . 58.1 t0 20.14 39.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 1.064 ' O ' ' N ' ' A' ' 74' ' ' VAL . 37.7 t0 -98.75 19.44 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.707 ' C ' ' O ' ' A' ' 72' ' ' ASP . 74.3 mm-40 -0.3 50.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.064 ' N ' ' O ' ' A' ' 72' ' ' ASP . 13.7 p -63.98 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.733 ' N ' HG22 ' A' ' 74' ' ' VAL . 48.2 mt -113.28 152.26 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.553 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.2 mt -104.06 105.52 18.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' GLU . 2.8 t -130.13 -176.9 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 21.1 pt-20 -78.76 -31.29 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.516 ' CE1' HD13 ' A' ' 155' ' ' ILE . 87.2 m-70 -64.02 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.69 50.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.49 100.0 11.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 82' ' ' LEU . 35.1 tp -49.6 -51.54 36.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.66 25.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -116.1 1.19 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.22 -15.8 9.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.691 ' HG2' HH11 ' A' ' 86' ' ' ARG . 9.6 mtt-85 -108.41 168.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.527 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 54.2 m-85 -114.53 -170.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.0 tp -118.27 157.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.735 ' HB3' HD13 ' A' ' 94' ' ' ILE . 52.0 t0 -139.27 89.01 12.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.02 -36.71 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.852 2.368 . . . . 0.0 112.027 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.39 -75.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -76.48 -20.31 57.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 6.8 mtmp? 62.76 61.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.735 HD13 ' HB3' ' A' ' 89' ' ' ASP . 0.2 OUTLIER -146.48 154.43 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.818 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 3.5 t -92.62 133.04 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 32.7 p90 -140.14 136.62 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.696 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.1 tttt -88.67 113.37 24.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.869 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 51.8 t80 -82.63 133.09 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.642 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 2.4 m-20 -104.52 90.14 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.46 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.526 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.3 mm? -47.38 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -52.73 156.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.584 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -88.9 2.3 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -117.18 150.26 39.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.869 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.28 79.71 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.57 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 49.7 m -95.58 -164.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t0 73.76 54.48 0.28 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.818 ' HA ' ' O ' ' A' ' 95' ' ' SER . 57.4 Cg_endo -73.49 -177.81 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.859 2.373 . . . . 0.0 112.086 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.814 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.15 124.54 2.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -47.09 130.95 17.05 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.907 2.405 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.698 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 8.1 pt-20 -122.9 102.47 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.2 p-10 -75.44 88.4 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.1 t -46.95 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.616 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t 71.95 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.8 -59.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.669 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.08 3.35 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 119' ' ' GLN . 87.2 tttt -53.96 -41.94 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 118' ' ' LYS . 93.4 mm-40 -39.2 -55.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.51 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -62.54 -47.57 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.57 ' O ' ' C ' ' A' ' 122' ' ' ASP . 9.4 tmm_? -53.93 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 121' ' ' ARG . 42.2 t0 -25.51 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.19 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.2 m -51.15 -48.57 61.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.46 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.2 t0 -40.41 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 22.6 m -48.01 -46.23 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.47 33.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.73 -12.33 60.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.639 ' O ' ' NE ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.71 74.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.625 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.65 -39.25 24.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.557 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.1 t80 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 136' ' ' TYR . 6.4 p -74.75 -40.51 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.503 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.451 ' N ' HG13 ' A' ' 132' ' ' VAL . 51.8 tttm -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 73.5 m-20 -147.56 7.68 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.765 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 59.7 m-70 -151.04 -21.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 39.2 m-85 -114.69 106.54 51.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.64 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.796 2.331 . . . . 0.0 112.028 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -127.53 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.59 12.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.583 ' HB2' HD21 ' A' ' 75' ' ' LEU . 51.2 m-85 -135.07 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 0.0 110.594 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 2.5 p -129.51 162.27 28.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 98.7 m -161.37 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.5 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 46.1 t -75.78 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 57.4 m-85 -120.18 124.24 45.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.7 84.52 0.37 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.405 ' HG2' ' H ' ' A' ' 147' ' ' SER . 30.8 ttpt -123.78 167.37 14.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.855 0.359 . . . . 0.0 110.519 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.405 ' H ' ' HG2' ' A' ' 146' ' ' LYS . 14.6 p -107.58 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 35.6 mm -91.17 104.06 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 54.5 t0 46.72 54.22 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.82 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -53.77 129.79 34.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.325 . . . . 0.0 110.65 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.637 ' H ' HG21 ' A' ' 181' ' ' ILE . 79.5 mt-30 -85.73 150.48 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.396 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.5 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.506 HD13 HD21 ' A' ' 117' ' ' LEU . 9.1 mm -108.48 110.06 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 54.3 mt -98.12 117.09 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 116.06 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.229 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 52.9 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.76 137.71 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.521 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.32 151.93 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.978 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.725 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.89 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.251 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 1.2 p80 -140.66 170.61 15.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.965 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -148.65 77.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.218 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -65.36 147.45 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.608 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 38.1 tp60 -167.98 66.08 0.73 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.333 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.4 Cg_endo -60.7 -52.06 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.768 2.312 . . . . 0.0 112.14 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -43.94 -8.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.455 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 2.8 t-20 -121.93 -10.46 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.82 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 43.8 m-85 70.07 80.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.82 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 21.6 p-90 158.78 127.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.734 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ASN . . . . . 0.559 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 62.4 m-20 -135.98 162.31 33.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.17 29.05 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.7 136.64 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.706 0.288 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' TRP . . . . . 0.873 ' CE3' HD11 ' A' ' 194' ' ' ILE . 6.3 t-105 -107.6 138.91 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.894 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.55 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 95.4 mtt180 -125.32 152.24 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.212 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.423 ' HG ' ' C ' ' A' ' 174' ' ' ARG . 0.8 OUTLIER -166.27 111.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.031 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.64 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.1 tt0 -116.4 124.68 50.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.652 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 69.0 m95 -120.62 116.95 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -98.59 119.83 37.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.368 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.72 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.1 m-85 -117.52 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 80.9 p -50.13 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' ILE . . . . . 0.756 ' O ' ' HB ' ' A' ' 182' ' ' THR . 9.7 tp -164.31 151.32 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.643 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' THR . . . . . 1.335 ' OG1' ' HG3' ' A' ' 184' ' ' PRO . 9.6 t 149.77 61.44 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 1.042 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 77.8 Cg_exo -34.38 12.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.413 2.742 . . . . 0.0 112.69 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' PRO . . . . . 1.335 ' HG3' ' OG1' ' A' ' 182' ' ' THR . 42.9 Cg_endo -79.79 -4.35 13.38 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.858 2.372 . . . . 0.0 112.172 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' THR . . . . . 1.037 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.1 OUTLIER 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.257 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.172 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.86 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.936 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 1.121 ' O ' HG23 ' A' ' 188' ' ' VAL . 78.1 mt-30 -106.7 -114.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.277 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.121 HG23 ' O ' ' A' ' 187' ' ' GLN . 4.6 t 145.65 173.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 189' ' ' ALA . . . . . 0.748 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.348 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.64 2.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.7 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . 57.3 mt -85.57 157.8 20.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 193' ' ' LYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 27.0 mttt -150.33 147.82 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 194' ' ' ILE . . . . . 0.873 HD11 ' CE3' ' A' ' 173' ' ' TRP . 0.9 OUTLIER -149.43 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.262 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.501 ' OE1' ' NE2' ' A' ' 205' ' ' GLN . 6.9 tt0 -142.38 130.28 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.699 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.64 136.65 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.147 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 197' ' ' HIS . . . . . 0.761 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 76.7 t60 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.976 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 198' ' ' TYR . . . . . 0.521 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.5 t80 -145.59 87.07 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.9 t80 -100.03 87.78 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 200' ' ' GLU . . . . . 0.793 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 32.8 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 201' ' ' ASP . . . . . 0.793 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.6 t0 114.84 2.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.42 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.67 -129.15 1.08 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.1 t -127.03 129.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 205' ' ' GLN . . . . . 0.699 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 29.6 tt0 -136.79 154.1 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.525 HD12 ' O ' ' B' ' 488' ' ' ASN . 10.6 tp -122.23 87.2 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.708 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 207' ' ' VAL . . . . . 0.435 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 16.4 t -90.03 122.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.412 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 6.1 p -149.61 147.23 27.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.409 . . . . 0.0 110.757 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -157.85 145.05 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.209 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -135.42 129.08 32.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.58 129.85 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 19.6 tt -127.15 154.93 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -150.19 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 214' ' ' ASP . . . . . 0.654 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.3 t0 -118.87 166.04 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.672 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 215' ' ' SER . . . . . 1.05 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 66.1 m -117.76 103.39 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.447 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 216' ' ' VAL . . . . . 1.172 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 70.6 t -91.96 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 217' ' ' GLN . . . . . 1.037 ' HA ' ' O ' ' A' ' 185' ' ' THR . 83.9 mt-30 -102.63 128.0 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 218' ' ' VAL . . . . . 1.051 HG23 ' HB2' ' A' ' 186' ' ' ALA . 54.8 t -86.02 137.55 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.967 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.7 t -131.07 -99.06 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 220' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 224' ' ' THR . 3.5 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 221' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 221' ' ' ASP . 19.5 p-10 -86.8 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.457 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 14.5 p -70.05 -24.69 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.515 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -73.98 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.967 ' CG2' ' H ' ' A' ' 219' ' ' SER . 53.5 p -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 225' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.55 -57.13 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.439 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.04 -30.58 64.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.6 -38.7 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.449 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -67.79 -53.96 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 229' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.0 mm -52.16 -27.34 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.384 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -74.8 -36.78 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.373 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 231' ' ' ILE . . . . . 0.437 HG13 HG21 ' A' ' 216' ' ' VAL . 4.6 mm -67.49 -41.22 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.459 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 232' ' ' ILE . . . . . 0.49 HG23 ' CE2' ' A' ' 177' ' ' TRP . 49.8 mt -70.01 -44.53 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.06 -46.99 82.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -69.63 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.435 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.96 61.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 236' ' ' GLU . . . . . 0.435 ' OE2' ' OH ' ' A' ' 136' ' ' TYR . 68.6 tt0 -60.2 -44.13 95.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.487 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 237' ' ' ASN . . . . . 0.5 ' HA ' HH12 ' B' ' 544' ' ' ARG . 92.5 m-20 -60.0 -40.28 88.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.72 -34.37 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 239' ' ' TYR . . . . . 0.697 ' CE2' HD11 ' A' ' 243' ' ' ILE . 49.6 t80 -68.45 -44.38 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 240' ' ' GLN . . . . . 0.758 ' HA ' HD12 ' A' ' 243' ' ' ILE . 55.2 tt0 -68.19 -39.02 82.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 76.2 m -61.43 -45.82 92.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 243' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 240' ' ' GLN . 62.7 mt -69.25 -47.45 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 81.3 p -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.89 -42.94 84.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.563 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 246' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 250' ' ' MET . 98.6 m-20 -62.12 -34.59 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 247' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 250' ' ' MET . 0.7 OUTLIER -64.93 -31.92 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -73.18 -50.91 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 249' ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.8 p -64.78 -34.84 79.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.579 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 250' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 247' ' ' TYR . 2.5 ptp -72.86 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.1 p -113.0 -10.08 13.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 252' ' ' ASP . . . . . 0.626 ' O ' ' OG1' ' A' ' 253' ' ' THR . 38.5 t70 -132.13 47.74 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 253' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.4 m 175.72 -78.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 254' ' ' THR . . . . . 0.56 ' N ' HG22 ' A' ' 253' ' ' THR . 10.9 m -53.54 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -47.69 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.33 -18.16 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 259' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ2' ' B' ' 448' ' ' TRP . 0.1 OUTLIER -98.58 174.49 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 260' ' ' ARG . . . . . 0.999 ' O ' ' CZ ' ' B' ' 411' ' ' TYR . 32.9 mmt180 -109.19 153.24 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 261' ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' ' 262' ' ' LEU . 84.3 mt-30 -83.75 -11.2 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.63 133.28 3.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 263' ' ' PRO . . . . . 0.699 ' O ' ' N ' ' A' ' 266' ' ' ARG . 76.8 Cg_exo -44.0 135.44 7.96 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.895 2.397 . . . . 0.0 112.064 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 264' ' ' VAL . . . . . 0.455 HG23 ' N ' ' A' ' 265' ' ' THR . 6.2 m -37.8 -38.97 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 265' ' ' THR . . . . . 0.492 ' O ' HG22 ' A' ' 267' ' ' THR . 3.4 m -64.13 -5.5 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 266' ' ' ARG . . . . . 0.699 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.8 ttm180 54.2 55.58 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.5 t 173.25 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.4 mttt -16.79 131.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 269' ' ' ILE . . . . . 0.561 HD12 ' H ' ' A' ' 269' ' ' ILE . 3.7 mp -50.25 158.44 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.803 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.9 m-20 -117.02 58.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 271' ' ' TRP . . . . . 0.597 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.44 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 272' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.2 t-20 -44.65 -25.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 273' ' ' LYS . . . . . 1.248 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 4.9 tttt -99.96 -7.73 24.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 274' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 274' ' ' ILE . 0.7 OUTLIER -103.24 -1.13 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 275' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 276' ' ' SER . 8.6 mt -111.16 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 276' ' ' SER . . . . . 1.297 ' O ' ' N ' ' A' ' 278' ' ' LYS . 8.0 m 141.9 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 1.248 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 78.4 t80 -31.02 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 278' ' ' LYS . . . . . 1.297 ' N ' ' O ' ' A' ' 276' ' ' SER . 64.8 tttp -107.72 80.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' A' ' 280' ' ' GLY . 96.1 mt 54.18 3.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 280' ' ' GLY . . . . . 1.069 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.51 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 302' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 7.4 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -42.8 -51.2 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -55.33 -34.16 63.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 305' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.6 mt-30 -60.74 -49.07 78.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.4 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.29 -40.59 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.41 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.96 -40.79 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.356 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 308' ' ' CYS . . . . . 0.429 ' SG ' HD13 ' A' ' 38' ' ' LEU . 79.6 m -68.13 -37.17 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.25 -42.09 96.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.36 -38.36 84.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.36 -33.65 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.78 -43.74 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.6 mmm -64.36 -25.64 68.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.381 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.28 -12.37 58.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 315' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' B' ' 315' ' ' ARG . 27.4 mmt-85 -100.09 -46.89 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.519 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.56 147.72 95.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.6 128.41 20.91 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 122.838 2.359 . . . . 0.0 112.026 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 318' ' ' PRO . . . . . 0.498 ' HA ' HG12 ' B' ' 321' ' ' ILE . 38.4 Cg_endo -71.48 -4.07 14.27 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.88 2.387 . . . . 0.0 112.056 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -80.53 -17.79 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -123.96 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.497 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 321' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' B' ' 318' ' ' PRO . 4.8 mm -63.41 -40.92 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.541 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.72 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -54.61 -54.4 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.504 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -54.72 -55.78 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 42.9 tp -47.12 -48.95 22.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.6 t -57.02 -49.78 74.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.417 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 63.7 tp -55.56 -40.98 72.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.53 -41.15 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.396 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.77 -37.95 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.458 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 331' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.2 mt -71.26 -29.06 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.411 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.6 84.62 9.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.1 -5.6 15.15 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.774 2.316 . . . . 0.0 112.059 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.29 -6.47 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 95.4 mt -119.01 20.86 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.1 -55.87 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.39 -50.44 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.72 -36.18 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 339' ' ' LEU . . . . . 0.479 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 71.6 mt -79.06 -28.66 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 340' ' ' LEU . . . . . 0.639 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 41.6 mt -81.45 12.39 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.5 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.1 t -119.39 -15.48 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.85 120.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.85 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.465 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 6.1 pt20 -129.27 165.94 28.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 346' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 84.9 Cg_exo -44.48 125.24 5.89 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.796 2.331 . . . . 0.0 112.168 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 347' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 347' ' ' LEU . 93.9 mt -66.63 122.46 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -88.62 148.77 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 21.1 tt -102.94 136.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.72 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' ALA . . . . . 0.725 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.66 33.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.463 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -114.37 143.36 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.571 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.963 ' O ' ' N ' ' B' ' 356' ' ' GLY . 64.2 t0 -111.94 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 64.1 mttp -37.25 -62.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 93.7 t -39.51 -52.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 5.9 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 356' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.65 70.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 30.7 mmtp -115.06 154.92 27.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 358' ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.9 m-20 -94.76 143.05 26.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.681 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.73 33.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.19 156.68 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.423 HD22 ' CG ' ' B' ' 371' ' ' TYR . 66.1 mt -108.57 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 362' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 21.5 p -168.2 168.66 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 363' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.2 p-10 -75.54 -10.28 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 364' ' ' TYR . . . . . 0.504 ' O ' ' CE2' ' B' ' 420' ' ' TYR . 87.5 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 365' ' ' ASN . . . . . 0.455 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 51.2 p30 -123.25 24.76 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 366' ' ' ARG . . . . . 0.515 ' NH1' ' OH ' ' B' ' 371' ' ' TYR . 56.4 ttt180 -119.98 129.87 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -122.18 99.5 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.03 -98.7 1.74 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -126.32 8.77 7.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.577 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 370' ' ' SER . . . . . 1.019 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 78.3 p -122.4 161.32 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 371' ' ' TYR . . . . . 1.1 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.8 m-85 -118.26 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 372' ' ' ARG . . . . . 0.534 ' NH2' ' OH ' ' B' ' 420' ' ' TYR . 4.9 mtp180 -98.76 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 373' ' ' SER . . . . . 0.588 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 87.4 p -79.62 133.77 58.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.789 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 374' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.6 Cg_exo -75.81 -14.82 19.3 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.857 2.371 . . . . 0.0 112.227 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -85.86 -66.28 0.92 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 376' ' ' SER . . . . . 0.493 ' HG ' ' HG ' ' B' ' 373' ' ' SER . 68.0 p -83.14 -18.6 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 377' ' ' ASN . . . . . 0.588 ' HA ' ' O ' ' B' ' 373' ' ' SER . 49.6 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -141.56 137.91 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 379' ' ' TYR . . . . . 1.1 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.8 140.45 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.614 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 380' ' ' ASP . . . . . 0.876 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.97 -60.41 6.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.369 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 381' ' ' PRO . . . . . 1.019 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.1 Cg_exo -65.43 120.04 7.17 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.957 2.438 . . . . 0.0 112.327 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.61 79.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.984 2.456 . . . . 0.0 112.246 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.611 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.2 tp -84.51 177.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.533 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -111.64 -72.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.02 66.02 0.72 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 386' ' ' GLY . . . . . 0.85 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.23 151.74 47.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -63.98 127.29 30.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 388' ' ' MET . . . . . 0.474 ' O ' ' SD ' ' B' ' 388' ' ' MET . 0.0 OUTLIER -132.31 148.6 70.36 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.98 150.76 49.32 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.119 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 142.92 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.63 -43.73 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -67.95 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 393' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.89 -42.42 70.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -55.32 -36.8 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.54 -46.56 85.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.44 -31.94 73.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.262 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -67.85 -38.05 82.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.06 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.436 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.74 -36.96 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.91 94.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 401' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.0 t-20 -63.91 -39.08 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.12 -40.41 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.375 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 403' ' ' ALA . . . . . 0.864 ' HB1' HD11 ' A' ' 274' ' ' ILE . . . -63.65 -47.96 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.394 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.31 -29.29 67.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 405' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 54.1 m-20 -54.57 -38.83 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.18 -32.78 56.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -69.79 -18.64 63.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 408' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 4.3 ttm180 -83.84 -35.46 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 409' ' ' ASP . . . . . 0.518 ' OD2' ' NZ ' ' C' ' 604' ' ' LYS . 17.0 t0 -85.2 -9.0 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 410' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 43.5 mt -95.8 -17.89 20.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 411' ' ' TYR . . . . . 0.999 ' CZ ' ' O ' ' A' ' 260' ' ' ARG . 1.7 t80 -118.89 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 77.1 m-85 -100.58 -25.98 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 63.53 24.34 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.77 -154.49 25.46 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.38 -163.46 52.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 16.3 t -128.7 153.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.331 . . . . 0.0 110.447 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 47.4 t -143.57 148.52 36.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 26.4 t -148.21 143.99 27.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 97.2 t -132.9 130.21 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.534 ' OH ' ' NH2' ' B' ' 372' ' ' ARG . 77.5 t80 -128.5 132.43 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 158.4 26.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.686 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 422' ' ' TRP . . . . . 0.918 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.0 p-90 -154.5 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -43.01 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 424' ' ' LEU . . . . . 0.763 HD21 ' CZ3' ' B' ' 422' ' ' TRP . 55.1 mt -127.86 -147.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 425' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 52.6 t0 -87.34 -49.87 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -129.8 30.73 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.7 -135.64 2.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -170.71 154.13 4.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.533 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 429' ' ' ALA . . . . . 0.918 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -124.04 172.79 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 430' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.68 35.02 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.03 126.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.56 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 113.72 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' B' ' 450' ' ' SER . 30.8 mt -102.88 143.14 32.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 434' ' ' ILE . . . . . 0.492 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.6 mt -148.71 119.92 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -122.56 127.53 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 436' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.19 119.63 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.91 138.15 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.07 179.47 45.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.73 128.11 19.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.75 76.05 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.5 p -110.34 -4.25 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -89.22 153.91 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 443' ' ' LYS . . . . . 0.545 ' NZ ' ' CD2' ' C' ' 677' ' ' TYR . 6.1 pttm -56.94 -43.77 81.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 444' ' ' ILE . . . . . 0.425 ' H ' ' HG3' ' B' ' 443' ' ' LYS . 60.1 mt -95.16 135.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.689 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -105.75 154.73 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.356 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.77 152.4 24.51 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 8.1 t -149.44 130.65 14.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 448' ' ' TRP . . . . . 0.728 ' CZ2' ' CZ ' ' A' ' 259' ' ' ARG . 6.7 t-105 -114.81 116.22 28.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.817 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 449' ' ' ASP . . . . . 0.51 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.0 m-20 -109.43 127.18 54.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.288 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 450' ' ' SER . . . . . 0.559 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.3 m -115.92 122.78 46.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 88.9 mt -127.91 100.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 3.3 m170 -108.66 132.41 53.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.813 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 453' ' ' VAL . . . . . 0.709 ' O ' HG22 ' B' ' 470' ' ' THR . 0.1 OUTLIER -128.74 95.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.217 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.1 p -96.69 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -131.84 102.22 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.318 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 456' ' ' VAL . . . . . 0.408 HG22 ' CE2' ' B' ' 467' ' ' TYR . 99.5 t -79.1 139.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -123.51 68.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 458' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.9 mt-10 -40.22 146.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 459' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' B' ' 464' ' ' THR . 28.7 tptp -109.37 141.97 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.93 -54.15 16.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.655 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.75 146.57 50.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 462' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.76 48.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 59.17 -0.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.685 0.278 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 464' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 462' ' ' GLY . 9.6 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 465' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.76 151.9 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.729 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -92.98 126.53 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.381 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 467' ' ' TYR . . . . . 0.408 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.3 m-85 -103.15 139.44 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -135.81 86.18 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 157.55 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 470' ' ' THR . . . . . 0.76 ' O ' HG23 ' B' ' 470' ' ' THR . 15.1 t -157.85 62.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.077 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 471' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 11.9 p -64.65 174.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 472' ' ' THR . . . . . 0.731 HG23 HG22 ' B' ' 494' ' ' THR . 6.2 m -168.77 87.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.113 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 473' ' ' VAL . . . . . 0.472 HG11 ' CH2' ' B' ' 448' ' ' TRP . 98.5 t -69.72 143.85 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 474' ' ' MET . . . . . 0.51 ' HB3' ' HB2' ' B' ' 449' ' ' ASP . 0.6 OUTLIER -124.82 96.05 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 475' ' ' LEU . . . . . 0.713 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.8 OUTLIER -86.67 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 476' ' ' TRP . . . . . 0.713 ' N ' HD23 ' B' ' 475' ' ' LEU . 1.6 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 33.7 mt -137.36 124.71 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.954 0.406 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 478' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' B' ' 479' ' ' THR . 41.4 tt0 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 479' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 478' ' ' GLN . 1.8 t -163.46 127.52 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 480' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 90.0 m-20 -108.23 73.81 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 481' ' ' LYS . . . . . 0.875 ' O ' ' N ' ' B' ' 485' ' ' GLY . 3.4 ttmp? -107.66 146.68 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 60.9 p -57.31 -45.98 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.6 -25.26 68.67 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 484' ' ' SER . . . . . 0.447 ' O ' ' C ' ' B' ' 485' ' ' GLY . 51.8 p -125.92 14.85 7.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 110.611 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 485' ' ' GLY . . . . . 0.875 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.61 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 486' ' ' THR . . . . . 0.446 ' N ' ' O ' ' B' ' 484' ' ' SER . 15.1 p -126.0 113.91 17.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 487' ' ' MET . . . . . 0.678 ' SD ' HG12 ' A' ' 243' ' ' ILE . 2.5 ttm -125.07 118.04 25.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 488' ' ' ASN . . . . . 0.525 ' O ' HD12 ' A' ' 206' ' ' LEU . 25.5 m-20 -119.0 123.97 45.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 489' ' ' LEU . . . . . 0.439 ' HB2' HD13 ' A' ' 206' ' ' LEU . 13.4 tp -131.65 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.79 21.79 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 491' ' ' GLY . . . . . 0.628 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.82 -142.65 11.08 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 492' ' ' SER . . . . . 0.628 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 74.3 p 163.2 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 493' ' ' LEU . . . . . 0.526 HD22 ' C ' ' B' ' 492' ' ' SER . 4.3 mm? -110.55 149.5 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 494' ' ' THR . . . . . 0.731 HG22 HG23 ' B' ' 472' ' ' THR . 2.5 p -127.18 142.86 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.478 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 495' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.3 mmt180 -149.95 128.7 12.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -92.83 160.59 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.6 tpp -160.04 130.44 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.662 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 498' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.8 pm0 -133.5 141.57 47.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.551 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -172.2 145.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 500' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.0 p-10 -91.21 125.2 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -120.75 160.17 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 72.4 p -94.24 131.85 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.61 122.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 18.6 p -143.02 -177.23 5.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.9 -35.84 77.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.66 -19.85 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 27.6 t -135.5 73.45 62.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 508' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.0 Cg_exo -72.5 -172.58 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.799 2.333 . . . . 0.0 112.145 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -58.82 -62.69 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 510' ' ' ILE . . . . . 0.608 HD12 ' H ' ' B' ' 510' ' ' ILE . 3.7 mp -42.7 -49.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.621 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 511' ' ' ALA . . . . . 0.465 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -54.92 -49.32 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.97 -48.14 80.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.08 -33.61 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.58 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 514' ' ' GLY . . . . . 0.518 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.72 -46.63 73.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -57.35 -44.31 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.27 . . . . 0.0 110.745 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.19 -52.52 62.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.5 -47.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.93 -51.71 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.746 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 519' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.9 t0 -63.52 -37.54 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.34 -49.44 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 521' ' ' GLU . . . . . 0.576 ' CG ' HH22 ' A' ' 259' ' ' ARG . 37.3 mt-10 -62.54 -45.33 93.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 522' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 56.3 t-20 -56.93 -41.41 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -70.62 -38.5 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 524' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' B' ' 524' ' ' ILE . 26.7 mm -74.36 -24.41 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 525' ' ' ARG . . . . . 0.666 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.62 66.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.675 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 526' ' ' SER . . . . . 0.528 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 28.2 t -85.04 -38.71 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.1 m -66.08 -35.75 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 528' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 65.7 mt -65.0 -42.37 94.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.51 -31.29 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 530' ' ' GLU . . . . . 0.97 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.37 -54.43 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.37 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 532' ' ' TYR . . . . . 0.677 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 17.2 m-85 -50.26 -86.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 533' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.74 40.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 534' ' ' GLY . . . . . 0.97 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 29.0 mmtp -56.96 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.549 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.5 p -34.81 -57.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -50.39 -53.22 30.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -53.29 -44.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 539' ' ' ILE . . . . . 0.469 HG21 HG13 ' A' ' 196' ' ' VAL . 91.3 mt -61.78 -36.03 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.46 -41.94 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.656 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -69.82 -17.13 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.35 48.0 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.458 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.12 -51.42 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.441 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 544' ' ' ARG . . . . . 0.765 ' HG2' ' O ' ' A' ' 135' ' ' HIS . 2.1 tmt_? -141.81 170.12 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.661 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 545' ' ' SER . . . . . 0.642 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.7 t -142.18 137.87 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 546' ' ' ILE . . . . . 0.544 HG23 ' N ' ' B' ' 547' ' ' ASP . 21.1 tt -69.05 -43.56 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 547' ' ' ASP . . . . . 0.544 ' N ' HG23 ' B' ' 546' ' ' ILE . 64.8 t0 -82.91 138.56 33.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.43 122.06 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 551' ' ' ASP . 73.7 mt -79.5 112.7 30.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.3 Cg_exo -46.49 80.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.926 2.418 . . . . 0.0 112.085 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 54.6 p-10 -25.37 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 552' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 43.6 p-10 -129.85 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -85.25 -24.81 27.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.67 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 558' ' ' LEU . 87.5 tttt -52.59 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 555' ' ' TYR . . . . . 0.548 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.4 m-85 -45.25 -56.66 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.643 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -57.6 -46.9 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.732 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.83 -29.69 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 558' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.9 tp -77.76 -30.3 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -73.62 -36.36 65.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.682 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 560' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' B' ' 560' ' ' ARG . 50.8 ttt-85 -58.2 -40.52 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 561' ' ' GLU . . . . . 0.947 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.0 mm-40 -67.84 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.743 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 82.5 mt -49.11 -40.65 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.683 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 563' ' ' SER . . . . . 0.797 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.9 m -61.19 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.694 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.457 ' OE1' ' NE2' ' B' ' 568' ' ' GLN . 7.1 tt0 -36.72 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.947 HG23 ' O ' ' B' ' 561' ' ' GLU . 64.4 t -72.14 -42.63 67.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.625 ' N ' HD22 ' B' ' 566' ' ' LEU . 4.0 mm? -81.53 -35.55 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.5 p -70.25 -19.67 63.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 568' ' ' GLN . . . . . 0.457 ' NE2' ' OE1' ' B' ' 564' ' ' GLN . 79.9 mt-30 -117.47 6.62 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 22.1 ttm180 -160.99 -141.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.498 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 570' ' ' GLN . . . . . 0.834 ' O ' HG22 ' B' ' 571' ' ' ILE . 39.1 tt0 139.78 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 571' ' ' ILE . . . . . 0.834 HG22 ' O ' ' B' ' 570' ' ' GLN . 13.9 tt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.517 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -49.79 -37.81 31.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 604' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' B' ' 409' ' ' ASP . 90.1 mttt -69.76 -52.18 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -55.05 -28.98 56.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -75.65 -53.62 8.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 607' ' ' MET . . . . . 0.483 ' CE ' ' OE2' ' C' ' 633' ' ' GLU . 46.9 ttp -72.81 -36.83 67.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -56.72 -16.01 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 609' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.69 13.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 610' ' ' LEU . . . . . 0.576 HD21 HG21 ' C' ' 618' ' ' VAL . 13.9 mt -66.22 1.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 611' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' C' ' 609' ' ' ALA . 62.8 tttp -102.04 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -70.39 -4.24 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 613' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.88 58.45 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 614' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.5 m-20 -63.89 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 615' ' ' LEU . . . . . 0.955 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.8 tm? -45.05 -17.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' C' ' 614' ' ' ASP . 95.9 m-20 -77.69 -27.59 50.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 617' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.47 -49.86 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 618' ' ' VAL . . . . . 0.576 HG21 HD21 ' C' ' 610' ' ' LEU . 9.9 p -62.85 -28.39 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 619' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 33.4 ttmt -66.21 -21.88 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.498 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 620' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 63.0 t0 -75.32 -45.49 39.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -60.92 -59.19 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.71 -27.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 623' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.73 -16.76 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.79 -76.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.8 82.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.7 pt-20 34.26 95.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.84 0.353 . . . . 0.0 110.598 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 627' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 54.6 p30 -140.97 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 628' ' ' VAL . . . . . 0.662 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.5 t -121.97 76.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -172.99 5.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 630' ' ' ARG . . . . . 0.414 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.6 mtt-85 -79.0 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 631' ' ' THR . . . . . 0.5 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.09 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.595 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 632' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' C' ' 631' ' ' THR . 40.7 tp -31.38 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.483 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 68.2 mm-40 -71.73 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.35 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 635' ' ' GLY . . . . . . . . . . . . . . . -163.45 22.72 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -127.91 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 637' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' C' ' 639' ' ' LEU . 12.7 mptt -108.42 157.0 37.63 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.67 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.855 2.37 . . . . 0.0 112.135 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 639' ' ' LEU . . . . . 0.479 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.76 -16.27 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.544 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -75.28 -43.83 49.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -71.68 -36.03 70.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 642' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -44.93 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.49 62.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 644' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.65 -35.63 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 5.3 p -160.91 65.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.601 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 646' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.03 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 647' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.1 mm100 51.62 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.325 . . . . 0.0 110.577 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 648' ' ' LEU . . . . . 0.949 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 7.03 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 649' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 647' ' ' GLN . 2.9 mp0 -115.79 -12.62 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.47 -36.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 1.106 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.31 -52.94 61.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.543 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 652' ' ' GLU . . . . . 0.77 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 91.0 mt-10 -56.18 -22.62 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.6 OUTLIER -75.83 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 654' ' ' LEU . . . . . 1.018 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.9 OUTLIER -41.45 6.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 10.6 tp -102.97 -47.87 4.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.27 -25.33 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 657' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' C' ' 658' ' ' GLY . 16.4 tptp -72.84 -90.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.508 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 658' ' ' GLY . . . . . 0.595 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.31 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 659' ' ' ALA . . . . . 0.709 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.07 33.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.599 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 660' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' C' ' 662' ' ' ASN . 90.1 m-20 -57.37 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 661' ' ' ILE . . . . . 0.709 ' H ' ' C ' ' C' ' 659' ' ' ALA . 0.0 OUTLIER -66.05 1.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 662' ' ' ASN . . . . . 1.102 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.5 p30 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 663' ' ' ALA . . . . . 0.752 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.15 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 664' ' ' PRO . . . . . 1.102 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 86.6 Cg_exo -46.98 120.83 4.48 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.928 2.419 . . . . 0.0 112.094 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -125.91 -50.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -78.79 -16.14 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 667' ' ' HIS . . . . . 0.555 ' N ' ' ND1' ' C' ' 667' ' ' HIS . 0.6 OUTLIER -80.48 -6.29 57.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 40.61 37.27 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 669' ' ' ILE . . . . . 0.522 HG22 ' O ' ' C' ' 667' ' ' HIS . 18.1 tt -176.89 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.57 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 670' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.19 168.7 10.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 671' ' ' PRO . . . . . 0.472 ' O ' ' OG ' ' C' ' 674' ' ' SER . 49.9 Cg_endo -72.51 -30.49 12.21 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.789 2.326 . . . . 0.0 112.109 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 23.7 tp -45.33 -49.11 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 673' ' ' LEU . . . . . 0.633 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.85 -27.79 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 674' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 19.5 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 675' ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.56 -30.04 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 676' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 13.2 t -47.16 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 677' ' ' TYR . . . . . 0.545 ' CD2' ' NZ ' ' B' ' 443' ' ' LYS . 1.2 m-85 -77.82 39.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -124.54 -28.68 3.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.0 m-70 -71.94 -53.58 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 0.0 110.55 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 681' ' ' VAL . . . . . 0.776 ' O ' HG22 ' C' ' 684' ' ' VAL . 10.7 m 43.28 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.1 m -67.45 -24.28 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 683' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 0.9 OUTLIER -91.0 -48.61 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 684' ' ' VAL . . . . . 0.776 HG22 ' O ' ' C' ' 681' ' ' VAL . 3.8 m -41.9 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 685' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' C' ' 687' ' ' LEU . 25.6 mtpp -62.55 -73.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.91 1.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 687' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.1 tp -81.85 -70.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 688' ' ' LEU . . . . . 0.692 HD12 ' O ' ' C' ' 691' ' ' GLY . 16.8 tp -45.64 -21.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.491 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 689' ' ' SER . . . . . 0.419 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.3 m -55.7 -21.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -99.58 -6.32 27.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 691' ' ' GLY . . . . . 1.081 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 693' ' ' ASP . . . . . 1.081 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.4 t0 33.19 -128.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -152.5 -23.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 5.4 m -156.53 73.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.5 t -93.51 -29.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -140.16 23.59 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.69 142.78 20.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 699' ' ' PRO . . . . . 0.66 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 84.6 Cg_exo -44.83 -27.74 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.845 2.363 . . . . 0.0 112.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 700' ' ' ASP . . . . . 0.66 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.8 t70 157.73 -112.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 701' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 702' ' ' LEU . . . . . 0.648 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.3 tp -53.83 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 81.9 p 16.2 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 704' ' ' ALA . . . . . 0.601 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.63 -18.59 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 705' ' ' LEU . . . . . 0.557 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.6 tp -62.89 -75.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.547 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 706' ' ' GLU . . . . . 0.401 ' HB3' HD13 ' C' ' 702' ' ' LEU . 15.4 tp10 -80.67 15.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.498 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 708' ' ' THR . . . . . 0.437 ' O ' ' OD1' ' C' ' 709' ' ' ASP . 56.9 p -139.77 -142.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 709' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 708' ' ' THR . 77.9 m-20 -148.87 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -72.57 151.84 42.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -71.54 -20.5 62.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.36 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 12.2 mt -70.02 -37.68 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -51.99 -29.95 22.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 716' ' ' LEU . . . . . 0.826 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 717' ' ' LEU . . . . . 0.826 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 11.9 mt 124.12 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.575 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 718' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 41.5 tp60 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.616 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 7' ' ' ARG . 57.2 ttt-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.17 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.0 p -45.88 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' VAL . 99.3 m-20 -64.93 -33.59 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.52 -39.31 87.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.8 mt-10 -67.61 -40.89 84.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.625 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -63.7 -35.91 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' ASP . 66.0 t -65.24 -43.77 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.53 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.412 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.3 mtm180 -61.62 -39.73 92.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.34 -47.39 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.9 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.67 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.9 -41.37 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.14 -44.84 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.66 -46.52 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 p -75.97 8.47 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.72 15.36 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.49 146.92 81.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.6 Cg_endo -68.2 167.56 21.67 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.751 2.301 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -70.97 116.22 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.095 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.44 35.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 42.8 mt-10 -149.28 37.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.781 0.324 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.91 -48.79 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -57.12 -57.35 12.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 42.0 mp0 -44.49 -54.43 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.78 -42.51 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.647 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 39.0 t80 -59.18 -50.88 72.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.03 -37.96 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.05 -42.12 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.04 -41.86 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.605 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.36 -54.82 41.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.36 -34.72 72.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.19 -49.81 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 67.1 t30 46.66 49.66 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.509 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 46.5 m-20 -168.64 79.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.649 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -51.85 -37.91 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.18 -44.17 71.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -77.35 -30.82 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.6 tp -62.73 -38.75 91.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.554 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.13 -35.59 80.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -40.97 -59.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.2 -56.82 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.5 87.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.34 -37.01 64.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.552 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.38 12.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -46.56 -56.57 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.63 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.564 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.3 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.04 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -46.95 -30.99 2.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.503 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.7 ttp -68.8 -66.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.87 10.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.619 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.5 mm100 -124.54 24.73 7.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.3 m-30 23.9 44.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.517 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.4 m -58.84 111.35 3.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.601 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.67 115.18 4.13 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.949 2.433 . . . . 0.0 112.199 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.631 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.3 p -109.42 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.631 ' N ' HG22 ' A' ' 65' ' ' VAL . 87.1 tttt -125.11 103.91 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.64 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.872 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.52 148.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.627 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.872 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.2 tm-20 -13.27 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.43 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.45 14.79 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.621 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.603 ' C ' ' O ' ' A' ' 70' ' ' TYR . 66.2 t0 20.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 1.055 ' O ' ' N ' ' A' ' 74' ' ' VAL . 9.5 t70 -98.74 19.43 14.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.4 mm100 -0.3 50.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.055 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.719 ' N ' HG22 ' A' ' 74' ' ' VAL . 57.6 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.526 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.5 mt -104.07 105.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.1 -176.92 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.79 -31.27 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.413 ' CE1' HD13 ' A' ' 155' ' ' ILE . 95.4 m-70 -64.03 -23.58 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.19 15.65 50.61 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -85.53 100.01 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 0.0 110.597 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 86' ' ' ARG . 56.0 tp -49.65 -51.5 37.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.65 25.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.734 0.302 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.18 -15.72 9.35 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.543 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.3 OUTLIER -108.38 168.75 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.586 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.55 -170.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' GLY . 63.9 mt -118.3 157.4 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.699 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.5 t0 -139.38 88.99 12.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.434 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -60.95 -36.68 81.87 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.827 2.351 . . . . 0.0 112.033 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.45 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.674 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.4 t-20 -76.46 -20.4 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.699 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 52.9 mtmt 62.81 62.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.658 HD13 ' OD1' ' A' ' 92' ' ' ASN . 24.1 pt -146.44 154.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.828 ' O ' ' N ' ' A' ' 109' ' ' GLN . 3.8 t -92.71 133.05 36.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.707 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.0 p90 -140.15 136.65 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.694 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 17.7 ttmm -88.71 113.38 24.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.556 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.883 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.9 t80 -82.63 133.08 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.605 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 102' ' ' ARG . 9.0 t70 -104.59 90.17 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.516 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.43 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -47.43 -81.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.86 156.34 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -88.88 2.27 54.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 104' ' ' GLU . 48.9 mp0 -117.24 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.3 m -95.56 -164.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.79 54.49 0.28 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.539 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.825 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.55 -177.74 3.26 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.791 2.328 . . . . 0.0 112.123 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.828 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.7 mt-30 -160.15 124.51 2.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.09 131.0 17.09 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.818 2.346 . . . . 0.0 112.045 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -122.89 102.44 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.45 88.45 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 82.1 p -46.91 164.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.07 -30.05 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.93 35.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.78 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.11 3.38 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' GLN . 10.6 mmtp -54.03 -41.9 68.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.477 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' LYS . 84.2 mt-30 -39.17 -55.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -62.55 -47.56 83.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.1 tmm_? -53.94 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.567 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.9 m-20 -25.46 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.01 -67.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.14 -48.49 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.446 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.1 t70 -40.48 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 32.0 m -47.97 -46.24 32.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.85 -12.21 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.641 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.42 -32.77 74.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.609 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.57 -39.3 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.547 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.0 t80 -54.74 -38.79 67.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 134' ' ' ASP . 88.3 t -74.75 -40.54 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.49 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.3 mttt -76.14 25.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.58 7.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.702 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.7 m80 -151.07 -21.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.8 m-85 -114.74 106.44 52.02 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.463 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.57 -57.15 2.36 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.75 2.3 . . . . 0.0 112.081 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -127.55 50.1 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.562 ' HB2' HD21 ' A' ' 75' ' ' LEU . 50.2 m-85 -135.06 158.14 45.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.51 162.27 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.6 m -161.35 97.36 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.3 t -75.74 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.579 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.6 m-85 -120.22 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.553 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.76 84.5 0.37 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -123.76 167.43 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.2 t -107.63 115.43 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.609 HG22 ' OD2' ' A' ' 149' ' ' ASP . 14.0 mt -91.24 104.12 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.609 ' OD2' HG22 ' A' ' 148' ' ' ILE . 3.0 p30 46.63 54.19 9.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.89 -62.78 4.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -53.79 129.85 34.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.644 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.631 ' HB3' HD22 ' A' ' 117' ' ' LEU . 35.0 mt-30 -85.82 150.49 24.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.719 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.1 t -155.27 146.11 22.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.719 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 179' ' ' PHE . 4.8 mp -108.46 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.13 117.1 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 115.99 27.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.295 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 85.7 m -106.1 135.41 47.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 158' ' ' ILE . 13.8 mt -122.76 137.73 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.192 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.519 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.37 151.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 0.0 111.051 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.88 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.212 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 161' ' ' HIS . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.62 170.62 15.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.964 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -148.66 77.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.43 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.983 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.465 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.96 66.08 0.73 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' PRO . . . . . 0.673 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.2 Cg_endo -60.72 -52.03 4.23 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.733 2.289 . . . . 0.0 112.144 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.91 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.673 ' N ' ' O ' ' A' ' 165' ' ' PRO . 11.9 m120 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.834 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 57.3 m-85 70.02 80.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.834 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.4 p-90 158.76 127.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.95 162.3 33.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.38 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.82 163.15 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.619 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 26.9 ttp180 -165.73 136.61 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' TRP . . . . . 0.733 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.5 t-105 -107.53 138.91 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.503 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 56.0 mtm180 -125.37 152.27 45.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.199 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.32 111.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.635 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.7 tt0 -116.42 124.7 50.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.114 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.706 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 67.9 m95 -120.61 116.93 26.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.944 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.57 119.85 37.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.719 ' O ' ' HA ' ' A' ' 153' ' ' THR . 33.5 m-85 -117.53 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.755 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.679 ' O ' ' O ' ' A' ' 179' ' ' PHE . 17.6 p -50.11 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 182' ' ' THR . 0.1 OUTLIER -164.33 151.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.922 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.4 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.47 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 1.062 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 89.0 Cg_exo -34.26 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.415 2.743 . . . . 0.0 112.738 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' PRO . . . . . 0.922 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.1 Cg_endo -79.8 -4.35 13.36 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.14 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' THR . . . . . 1.06 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.151 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.83 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.931 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 1.032 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 24.8 mp0 -106.72 -115.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.271 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.7 t 145.65 173.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' ALA . . . . . 0.766 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.407 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.63 2.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.75 115.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.533 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 192' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.2 mp -85.49 157.83 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -150.39 147.82 28.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.747 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 194' ' ' ILE . . . . . 0.555 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 68.1 mt -149.49 134.08 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.221 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -142.31 130.26 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.949 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.69 136.61 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.158 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 197' ' ' HIS . . . . . 0.777 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.955 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 198' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.7 t80 -145.6 87.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.307 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.769 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.5 p90 -100.04 87.74 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 200' ' ' GLU . . . . . 0.802 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 23.9 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 201' ' ' ASP . . . . . 0.802 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.2 m-20 114.86 2.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.399 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.69 -129.11 1.08 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 203' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.5 t30 -172.85 99.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.583 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.05 129.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 205' ' ' GLN . . . . . 0.705 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 31.5 mt-30 -136.78 154.08 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.479 HD22 ' OH ' ' A' ' 247' ' ' TYR . 13.0 tp -122.25 87.19 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.696 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 86.5 t -90.06 122.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 47.4 t -149.61 147.21 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 209' ' ' HIS . . . . . 0.424 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 34.6 p80 -157.87 145.09 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.212 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -135.45 129.07 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.903 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 211' ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' ' 191' ' ' VAL . 66.0 m-20 -103.55 129.82 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.259 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 212' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 213' ' ' GLN . 96.4 mt -127.16 154.85 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.916 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 213' ' ' GLN . . . . . 0.441 ' N ' HG22 ' A' ' 212' ' ' ILE . 58.3 tt0 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.339 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 214' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 33.9 t70 -118.84 166.09 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.705 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 215' ' ' SER . . . . . 1.032 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 19.8 p -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 216' ' ' VAL . . . . . 1.151 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.7 p -91.93 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 217' ' ' GLN . . . . . 1.06 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.9 pt20 -102.6 128.02 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 218' ' ' VAL . . . . . 1.062 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 64.6 t -86.03 137.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 219' ' ' SER . . . . . 0.963 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.3 t -130.98 -98.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 220' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.27 -163.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 221' ' ' ASP . . . . . 0.463 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.4 p-10 -86.85 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 222' ' ' VAL . . . . . 0.463 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 87.6 t -70.09 -24.73 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -73.92 -56.78 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.963 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.9 p -54.64 -36.87 65.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.54 -57.1 14.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.483 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -57.09 -30.52 64.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.374 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -67.61 -38.76 84.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.438 ' CE1' HG11 ' A' ' 216' ' ' VAL . 38.4 m-85 -67.74 -53.94 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.389 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 229' ' ' ILE . . . . . 0.434 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.2 -27.32 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.359 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 230' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 234' ' ' ASN . 65.7 tttm -74.84 -36.71 62.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 231' ' ' ILE . . . . . 0.426 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.5 mt -67.5 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 232' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' A' ' 177' ' ' TRP . 54.5 mt -70.05 -44.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -57.1 -47.03 82.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 234' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 230' ' ' LYS . 3.2 m-80 -69.6 -43.89 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.96 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.21 -44.12 95.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 237' ' ' ASN . . . . . 0.446 ' OD1' ' NH2' ' B' ' 544' ' ' ARG . 93.8 m-20 -60.01 -40.21 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.75 -34.35 73.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -68.46 -44.44 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -68.16 -38.98 82.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 241' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 19.6 m -61.5 -45.7 93.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.57 71.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.24 -47.49 73.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.67 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -66.84 -42.97 84.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 246' ' ' ASN . . . . . 0.538 ' O ' ' SD ' ' A' ' 250' ' ' MET . 7.7 m120 -62.13 -34.6 76.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 247' ' ' TYR . . . . . 0.479 ' OH ' HD22 ' A' ' 206' ' ' LEU . 2.7 m-85 -64.89 -31.96 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -73.21 -50.87 20.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 249' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 253' ' ' THR . 12.4 m -64.8 -34.78 79.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 250' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 26.8 mtp -72.93 -14.44 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.8 p -112.99 -10.13 13.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 252' ' ' ASP . . . . . 0.629 ' O ' ' OG1' ' A' ' 253' ' ' THR . 98.1 m-20 -132.14 47.75 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.566 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 253' ' ' THR . . . . . 0.629 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.9 m 175.75 -79.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 254' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 10.4 m -53.5 -61.28 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -47.65 -57.56 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.16 -11.84 34.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.22 -18.24 30.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.03 -91.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 259' ' ' ARG . . . . . 0.672 HH22 ' CA ' ' B' ' 521' ' ' GLU . 0.0 OUTLIER -98.67 174.43 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.435 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 260' ' ' ARG . . . . . 0.54 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 20.0 mmm180 -109.17 153.2 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -83.7 -11.32 57.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.59 133.29 3.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 263' ' ' PRO . . . . . 0.707 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 74.5 Cg_exo -43.99 135.39 7.94 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.895 2.396 . . . . 0.0 112.057 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 264' ' ' VAL . . . . . 0.499 HG22 ' CD ' ' C' ' 604' ' ' LYS . 61.5 t -37.71 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 67.5 p -64.2 -5.4 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 266' ' ' ARG . . . . . 0.698 ' N ' ' O ' ' A' ' 263' ' ' PRO . 33.8 ttt180 54.15 55.53 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.9 m 173.3 114.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 53.3 mtpt -16.85 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 269' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 269' ' ' ILE . 3.8 mp -50.29 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.514 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.799 ' O ' ' N ' ' A' ' 273' ' ' LYS . 67.0 t0 -117.12 58.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 271' ' ' TRP . . . . . 0.602 ' C ' ' O ' ' A' ' 270' ' ' ASP . 72.3 m95 -21.5 -55.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 272' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 270' ' ' ASP . 73.8 m-20 -44.57 -25.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.65 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 273' ' ' LYS . . . . . 1.229 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.7 pttt -99.97 -7.73 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 274' ' ' ILE . . . . . 0.593 ' N ' ' O ' ' A' ' 271' ' ' TRP . 15.3 mm -103.13 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 275' ' ' LEU . . . . . 0.705 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.8 mt -111.07 44.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 276' ' ' SER . . . . . 1.29 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.9 p 141.97 -38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 1.229 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.9 t80 -30.99 43.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 278' ' ' LYS . . . . . 1.29 ' N ' ' O ' ' A' ' 276' ' ' SER . 17.8 tptm -107.66 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 1.046 ' O ' ' O ' ' A' ' 280' ' ' GLY . 3.0 pt 54.25 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 280' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.11 0.0 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.547 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 302' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 19.5 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -42.77 -51.26 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.479 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -55.27 -34.22 63.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 305' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.64 -49.13 78.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.23 -40.6 77.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.437 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.85 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.37 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 96.5 m -68.1 -37.16 80.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.395 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 309' ' ' ALA . . . . . 0.727 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.27 -42.06 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.341 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 310' ' ' LEU . . . . . 0.667 ' O ' HD23 ' B' ' 310' ' ' LEU . 1.1 tt -67.36 -38.41 84.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.339 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -68.36 -33.59 74.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.81 -43.76 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.0 mmm -64.4 -25.57 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 314' ' ' ARG . . . . . 0.415 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 63.9 mtp180 -82.31 -12.38 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 315' ' ' ARG . . . . . 0.593 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.5 mtt-85 -100.04 -46.87 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.518 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.66 147.73 95.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.59 128.38 20.8 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.859 2.372 . . . . 0.0 112.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 318' ' ' PRO . . . . . 0.437 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.3 Cg_endo -71.4 -4.1 14.3 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.913 2.409 . . . . 0.0 112.048 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -80.52 -17.87 50.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -123.9 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 321' ' ' ILE . . . . . 0.437 HG13 ' HA ' ' B' ' 318' ' ' PRO . 86.0 mt -63.4 -40.93 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -54.63 -54.41 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -54.67 -55.79 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.8 tp -47.13 -48.93 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.458 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.9 t -57.14 -49.68 75.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.382 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 328' ' ' LEU . . . . . 0.727 HD21 ' HB1' ' B' ' 309' ' ' ALA . 61.1 tp -55.5 -41.06 72.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.507 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.44 -41.2 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.423 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -37.96 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.27 -29.06 64.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.54 84.64 9.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.473 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -68.16 -5.52 15.0 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.723 2.282 . . . . 0.0 112.082 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 96.5 p -89.35 -6.44 56.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.613 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.476 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 89.8 mt -119.07 20.9 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 336' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' B' ' 340' ' ' LEU . 11.6 t -64.1 -55.9 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.34 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.7 -36.16 73.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 339' ' ' LEU . . . . . 0.476 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 74.6 mt -79.04 -28.63 43.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 340' ' ' LEU . . . . . 0.643 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.4 mt -81.54 12.47 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.3 p -144.08 -3.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 59.7 p -119.38 -15.49 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 84.1 t -105.88 120.03 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.82 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.447 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.94 28.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.41 125.28 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.835 2.357 . . . . 0.0 112.095 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.67 122.48 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -88.65 148.79 23.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.93 136.36 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 350' ' ' ALA . . . . . 0.722 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.65 157.65 33.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.437 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -114.31 143.35 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.602 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.975 ' O ' ' N ' ' B' ' 356' ' ' GLY . 67.7 m-20 -111.9 81.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 88.7 tttt -37.23 -63.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.583 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 354' ' ' VAL . . . . . 0.467 HG23 ' H ' ' B' ' 355' ' ' VAL . 0.7 OUTLIER -39.5 -52.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 355' ' ' VAL . . . . . 0.467 ' H ' HG23 ' B' ' 354' ' ' VAL . 43.7 t -92.94 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 356' ' ' GLY . . . . . 0.975 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.62 70.66 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 357' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 352' ' ' ASP . 13.4 tptm -115.06 154.93 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.613 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 358' ' ' ASP . . . . . 0.722 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 97.3 m-20 -94.84 143.1 26.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.696 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.6 p90 -139.68 135.74 33.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 64.9 mt -69.19 156.65 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.3 mt -108.58 158.57 17.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 362' ' ' CYS . . . . . 0.564 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 25.1 p -168.23 168.64 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 363' ' ' ASP . . . . . 0.643 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.9 t70 -75.56 -10.27 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 364' ' ' TYR . . . . . 0.623 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 42.1 m-85 -88.37 -18.17 28.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 365' ' ' ASN . . . . . 0.564 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 33.7 p-10 -123.25 24.79 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 366' ' ' ARG . . . . . 0.513 HH22 HD13 ' B' ' 340' ' ' LEU . 31.1 ttp180 -119.94 129.89 54.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -122.27 99.51 6.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.74 1.75 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.29 8.68 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 370' ' ' SER . . . . . 1.01 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.5 p -122.41 161.33 23.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.363 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 371' ' ' TYR . . . . . 1.116 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.1 m-85 -118.26 150.77 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.564 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 372' ' ' ARG . . . . . 0.598 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.3 ttp180 -98.81 124.75 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 373' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.4 t -79.54 133.71 59.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.808 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.84 -14.78 19.26 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.855 2.37 . . . . 0.0 112.241 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -85.9 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.6 p -83.15 -18.67 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.566 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 377' ' ' ASN . . . . . 0.593 ' HA ' ' O ' ' B' ' 373' ' ' SER . 42.6 t30 70.31 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -141.58 137.88 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 379' ' ' TYR . . . . . 1.116 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 34.9 m-85 -65.79 140.44 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 380' ' ' ASP . . . . . 0.76 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.41 6.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.347 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 381' ' ' PRO . . . . . 1.01 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.7 Cg_exo -65.41 120.02 7.15 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.952 2.435 . . . . 0.0 112.347 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -41.54 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.995 2.463 . . . . 0.0 112.306 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.662 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.5 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.51 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 384' ' ' GLU . . . . . 0.633 ' H ' HD23 ' B' ' 383' ' ' LEU . 76.3 mt-10 -111.71 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -116.97 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.556 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.71 47.39 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 387' ' ' ALA . . . . . 0.565 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.99 127.25 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.7 mtt -132.25 148.57 70.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.95 150.71 49.44 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.789 2.326 . . . . 0.0 112.149 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 142.91 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.59 -43.79 5.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -67.9 -37.79 82.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.491 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.4 tp -70.9 -42.42 69.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.564 ' NH1' ' OE1' ' B' ' 397' ' ' GLU . 25.1 tpt180 -55.34 -36.84 66.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -63.44 -46.65 85.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.42 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.302 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 397' ' ' GLU . . . . . 0.564 ' OE1' ' NH1' ' B' ' 394' ' ' ARG . 42.0 tt0 -67.76 -38.13 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.0 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.66 -37.03 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.357 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.96 94.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.399 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 401' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 58.3 m-80 -63.89 -39.01 93.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.362 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.17 -40.39 67.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.0 79.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -69.31 -29.22 67.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.59 -38.85 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -77.09 -32.85 56.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.354 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.8 -18.61 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 408' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -83.86 -35.48 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.16 -8.94 58.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.566 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 410' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 55.1 mt -95.86 -17.84 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 411' ' ' TYR . . . . . 0.707 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.06 3.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 90.9 m-85 -100.55 -25.97 14.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 413' ' ' GLU . . . . . 0.416 ' OE1' HG21 ' A' ' 264' ' ' VAL . 26.1 tp10 63.58 24.3 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 414' ' ' GLY . . . . . 0.463 ' O ' ' CD ' ' B' ' 408' ' ' ARG . . . 162.74 -154.48 25.45 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.4 -163.49 52.94 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.8 t -128.7 153.73 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 39.9 t -143.59 148.46 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.67 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.4 m -148.17 143.99 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 55.9 t -132.86 130.23 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.545 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 59.6 m-85 -128.47 132.46 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.366 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.411 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.2 mt -119.66 158.39 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 422' ' ' TRP . . . . . 0.978 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 33.0 p90 -154.47 110.52 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.513 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -43.01 159.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 424' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' B' ' 429' ' ' ALA . 57.1 mt -127.92 -147.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -87.29 -49.87 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.77 30.75 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.66 2.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.77 154.05 4.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 429' ' ' ALA . . . . . 0.978 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 430' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.72 35.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 431' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.6 p -130.07 126.38 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 432' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.35 113.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' B' ' 450' ' ' SER . 55.2 mt -102.85 143.2 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 434' ' ' ILE . . . . . 0.568 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 30.9 mt -148.72 119.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -122.55 127.53 49.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 436' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' B' ' 437' ' ' ALA . 0.0 OUTLIER -137.19 119.59 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.548 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 437' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' B' ' 436' ' ' LYS . . . -103.9 138.18 40.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.1 179.48 45.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 439' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' B' ' 441' ' ' SER . 5.5 t70 -50.72 128.08 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 441' ' ' SER . . . . . 0.571 ' N ' ' OD1' ' B' ' 439' ' ' ASP . 45.1 p -110.35 -4.31 15.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.575 ' NZ ' ' NE2' ' C' ' 640' ' ' HIS . 42.5 mmtt -89.19 153.92 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.485 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 443' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' C' ' 677' ' ' TYR . 38.5 mttp -56.93 -43.8 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 18.1 mt -95.15 135.94 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -105.74 154.72 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.36 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.44 24.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.49 130.62 14.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.206 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 448' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.1 t-105 -114.81 116.25 28.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 449' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 474' ' ' MET . 0.9 OUTLIER -109.47 127.22 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 450' ' ' SER . . . . . 0.568 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 0.9 OUTLIER -115.98 122.69 46.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 0.0 110.908 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.85 100.79 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 452' ' ' HIS . . . . . 0.754 ' CG ' ' HG ' ' B' ' 471' ' ' SER . 13.3 m-70 -108.69 132.47 53.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.83 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 67.2 t -128.77 95.65 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 454' ' ' VAL . . . . . 0.425 HG22 ' N ' ' B' ' 455' ' ' GLU . 11.7 p -96.71 153.63 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 455' ' ' GLU . . . . . 0.425 ' N ' HG22 ' B' ' 454' ' ' VAL . 75.4 mt-10 -131.84 102.21 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.31 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.06 139.63 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 458' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 76.1 mt-10 -40.31 146.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 459' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.9 mmtp -109.33 141.98 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.96 -54.18 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.6 p -126.7 146.5 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 462' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.7 48.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 59.13 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 464' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.8 t -82.25 123.62 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.443 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 465' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.77 151.89 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 466' ' ' HIS . . . . . 0.527 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.4 t-160 -92.93 126.54 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.352 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -103.15 139.47 38.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -135.81 86.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.149 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 469' ' ' LEU . . . . . 0.634 HD12 ' H ' ' B' ' 470' ' ' THR . 58.8 tp -82.15 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 470' ' ' THR . . . . . 0.634 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.2 m -157.87 62.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 471' ' ' SER . . . . . 0.754 ' HG ' ' CG ' ' B' ' 452' ' ' HIS . 6.4 m -64.68 174.63 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.073 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 472' ' ' THR . . . . . 0.501 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.6 m -168.78 87.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.136 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 473' ' ' VAL . . . . . 0.466 HG11 ' CH2' ' B' ' 448' ' ' TRP . 76.8 t -69.66 143.79 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 474' ' ' MET . . . . . 0.467 ' O ' ' OD1' ' B' ' 449' ' ' ASP . 10.3 mtp -124.75 95.96 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.186 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 475' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 8.8 tp -86.65 131.15 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -125.27 130.28 51.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 10.0 mt -137.37 124.64 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 478' ' ' GLN . . . . . 0.465 ' C ' HG22 ' B' ' 479' ' ' THR . 54.0 tt0 -138.13 158.13 44.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 479' ' ' THR . . . . . 0.465 HG22 ' C ' ' B' ' 478' ' ' GLN . 0.5 OUTLIER -163.41 127.5 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.628 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 480' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 87.7 m-20 -108.21 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 16.2 tptm -107.64 146.56 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.24 -45.94 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.66 -25.27 68.77 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 484' ' ' SER . . . . . 0.45 ' O ' ' C ' ' B' ' 485' ' ' GLY . 73.2 m -125.95 14.9 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 486' ' ' THR . . . . . 0.446 ' N ' ' O ' ' B' ' 484' ' ' SER . 72.2 p -126.06 113.96 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 23.5 ttt -125.12 118.07 25.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -119.0 123.96 45.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 489' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 15.8 tp -131.64 76.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.86 21.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 491' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.63 11.06 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 492' ' ' SER . . . . . 0.646 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 80.5 p 163.23 135.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.54 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 494' ' ' THR . . . . . 0.501 ' OG1' HG23 ' B' ' 472' ' ' THR . 55.2 m -127.14 142.84 51.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -149.95 128.7 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 51.8 ttp -160.08 130.51 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.58 141.58 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -172.18 145.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 500' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.7 m-20 -91.25 125.19 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 501' ' ' GLU . . . . . 0.434 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.5 tt0 -120.66 160.21 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.8 m -94.29 131.84 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.65 122.39 50.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 19.7 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.97 -35.84 77.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 506' ' ' SER . . . . . 0.416 ' O ' ' OD1' ' A' ' 272' ' ' ASN . 78.2 p -83.66 -19.87 34.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.3 t -135.43 73.46 62.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.55 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.765 2.31 . . . . 0.0 112.168 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -58.75 -62.7 1.67 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.0 mt -42.72 -49.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.21 72.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 512' ' ' ASN . . . . . 0.434 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.8 m-20 -62.95 -48.19 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.1 -33.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.7 -46.61 74.06 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.32 -44.36 84.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.661 0.267 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.23 -52.54 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.558 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 50.2 t -55.45 -47.13 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.92 -51.69 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.758 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.59 -37.49 87.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 27.5 tpp -64.36 -49.45 71.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.695 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 521' ' ' GLU . . . . . 0.672 ' CA ' HH22 ' A' ' 259' ' ' ARG . 4.4 mt-10 -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.88 -41.5 78.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.57 -38.51 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 92.7 mt -74.38 -24.34 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 525' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.69 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.693 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 526' ' ' SER . . . . . 0.526 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 4.9 t -84.99 -38.77 18.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.9 m -66.04 -35.71 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.681 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 528' ' ' LEU . . . . . 0.692 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 40.2 mt -64.99 -42.36 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.55 -31.32 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 530' ' ' GLU . . . . . 0.948 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.39 -54.41 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.42 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 532' ' ' TYR . . . . . 0.692 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 14.0 m-85 -50.26 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.574 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.84 40.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 534' ' ' GLY . . . . . 0.948 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.06 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 535' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.9 tptt -56.9 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.501 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.622 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -57.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.35 -53.31 29.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.644 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.14 -44.97 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 539' ' ' ILE . . . . . 0.471 HG21 HG13 ' A' ' 196' ' ' VAL . 90.9 mt -61.72 -36.04 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.666 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.46 -42.0 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -69.73 -17.18 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.37 48.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.463 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 15.1 mt -68.08 -51.44 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.715 0.293 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 544' ' ' ARG . . . . . 0.739 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.663 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 545' ' ' SER . . . . . 0.739 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 35.2 t -142.21 137.88 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.15 -43.48 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.86 138.63 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.627 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 548' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.11 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.44 112.64 30.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' B' ' 551' ' ' ASP . 72.1 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.869 2.379 . . . . 0.0 112.126 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' B' ' 550' ' ' PRO . 52.5 p-10 -25.27 145.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.95 116.18 18.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.3 -24.72 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 558' ' ' LEU . 1.8 mptm? -52.63 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -45.23 -56.59 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.65 -46.85 83.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 557' ' ' GLN . . . . . 0.408 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.7 tm0? -65.84 -29.65 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 558' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.5 tp -77.81 -30.29 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.702 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -73.65 -36.29 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.688 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.2 -40.58 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 561' ' ' GLU . . . . . 0.574 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.4 mt-10 -67.84 -61.68 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.884 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.4 mt -49.12 -40.72 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.5 m -61.15 -76.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.3 pt20 -36.69 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.884 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.07 -42.69 67.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.637 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' B' ' 563' ' ' SER . 49.1 mt -81.49 -35.59 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.4 p -70.31 -19.57 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -117.54 6.64 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 569' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 24.3 ttp180 -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 570' ' ' GLN . . . . . 0.824 ' O ' HG22 ' B' ' 571' ' ' ILE . 40.0 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 571' ' ' ILE . . . . . 0.824 HG22 ' O ' ' B' ' 570' ' ' GLN . 13.8 tt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.46 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 601' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.6 m 62.11 5.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.53 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -49.76 -37.86 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 604' ' ' LYS . . . . . 0.499 ' CD ' HG22 ' A' ' 264' ' ' VAL . 64.9 tttp -69.66 -52.26 27.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -55.09 -28.92 56.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -75.64 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 607' ' ' MET . . . . . 0.411 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 12.0 ptt? -72.77 -36.82 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 608' ' ' TRP . . . . . 0.411 ' N ' ' CG ' ' C' ' 607' ' ' MET . 73.6 t-105 -56.74 -16.08 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 609' ' ' ALA . . . . . 0.575 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.44 -50.58 13.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 610' ' ' LEU . . . . . 0.73 ' CD2' HG11 ' C' ' 618' ' ' VAL . 10.8 mt -66.31 1.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 611' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' C' ' 609' ' ' ALA . 18.8 mmtt -102.05 -66.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 612' ' ' ASN . . . . . 0.405 ' OD1' ' NE1' ' C' ' 608' ' ' TRP . 4.2 m120 -70.41 -4.18 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 613' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.97 58.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 614' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' C' ' 616' ' ' ASP . 3.6 m-20 -63.96 49.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 615' ' ' LEU . . . . . 0.986 ' O ' HD13 ' C' ' 615' ' ' LEU . 3.1 tm? -45.0 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 616' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' C' ' 614' ' ' ASP . 57.4 m-20 -77.78 -27.46 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 617' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' C' ' 614' ' ' ASP . 75.7 mm-40 -81.53 -49.87 10.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 618' ' ' VAL . . . . . 0.73 HG11 ' CD2' ' C' ' 610' ' ' LEU . 1.4 m -62.86 -28.34 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 619' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.8 tttm -66.23 -21.87 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 620' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 34.3 t70 -75.38 -45.46 39.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 621' ' ' TYR . . . . . 0.961 ' OH ' HG22 ' C' ' 628' ' ' VAL . 0.1 OUTLIER -60.91 -59.15 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 622' ' ' VAL . . . . . 0.882 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.4 p -57.75 -27.92 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 623' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.66 -16.76 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -64.76 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.38 0.1 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.4 mt-10 34.2 95.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.584 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.96 62.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 628' ' ' VAL . . . . . 0.961 HG22 ' OH ' ' C' ' 621' ' ' TYR . 1.9 t -121.98 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -173.06 5.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -78.99 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.538 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 25.7 p -82.08 87.61 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.0 tp -31.24 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -71.7 -76.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.75 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 635' ' ' GLY . . . . . 0.5 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.79 0.18 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 636' ' ' ARG . . . . . 0.576 ' NH2' ' OG1' ' A' ' 253' ' ' THR . 91.5 mtt180 -127.97 164.89 21.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.494 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 637' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.1 OUTLIER -108.4 156.98 37.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.614 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 638' ' ' PRO . . . . . 0.423 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 58.2 Cg_endo -73.59 24.98 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.849 2.366 . . . . 0.0 112.158 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 639' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.72 -16.31 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 640' ' ' HIS . . . . . 0.575 ' NE2' ' NZ ' ' B' ' 442' ' ' LYS . 77.5 t60 -75.2 -43.85 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.7 -36.01 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.87 -44.99 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.44 62.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 5.0 t70 -60.7 -35.65 76.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 645' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 28.0 t -160.82 65.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.621 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.13 4.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 647' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' C' ' 648' ' ' LEU . 90.2 mt-30 51.62 4.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.57 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 648' ' ' LEU . . . . . 0.922 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.2 OUTLIER 71.55 6.95 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.68 -12.68 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 650' ' ' ILE . . . . . 0.561 HG21 HD23 ' C' ' 610' ' ' LEU . 1.0 OUTLIER -87.44 -36.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 1.09 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 652' ' ' GLU . . . . . 0.814 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 18.4 pt-20 -56.15 -22.62 29.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 653' ' ' PHE . . . . . 0.986 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.0 t80 -75.84 -97.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 654' ' ' LEU . . . . . 0.715 HD23 ' H ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.44 6.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 655' ' ' LEU . . . . . 0.986 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.5 tt -102.95 -47.93 4.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 656' ' ' LEU . . . . . 0.579 ' N ' HD23 ' C' ' 655' ' ' LEU . 56.8 tp -59.21 -25.38 63.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -72.8 -90.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 658' ' ' GLY . . . . . 0.589 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.32 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 659' ' ' ALA . . . . . 0.708 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.11 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 660' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.4 10.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 661' ' ' ILE . . . . . 0.708 ' H ' ' C ' ' C' ' 659' ' ' ALA . 11.7 pt -66.08 1.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.496 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 662' ' ' ASN . . . . . 1.102 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.72 -18.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.66 0.28 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 664' ' ' PRO . . . . . 1.102 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.4 Cg_exo -46.97 120.85 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.828 2.352 . . . . 0.0 112.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -125.91 -50.48 1.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -78.86 -16.08 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 667' ' ' HIS . . . . . 0.5 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.56 -6.23 57.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 668' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' C' ' 668' ' ' HIS . 46.3 t-80 40.49 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 669' ' ' ILE . . . . . 0.414 HG22 ' O ' ' C' ' 667' ' ' HIS . 6.0 tt -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 670' ' ' THR . . . . . 0.407 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.0 OUTLIER -96.19 168.67 10.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 671' ' ' PRO . . . . . 0.498 ' HA ' ' OG ' ' C' ' 674' ' ' SER . 49.5 Cg_endo -72.46 -30.48 12.36 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.828 2.352 . . . . 0.0 112.132 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 7.5 tt -45.34 -49.1 13.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 673' ' ' LEU . . . . . 0.618 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 44.6 mt -67.82 -27.85 67.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 674' ' ' SER . . . . . 0.498 ' OG ' ' HA ' ' C' ' 671' ' ' PRO . 23.8 m -51.75 -40.9 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 675' ' ' ALA . . . . . 0.424 ' HB3' ' CG2' ' C' ' 684' ' ' VAL . . . -74.55 -30.0 61.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 676' ' ' VAL . . . . . 0.618 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.1 t -47.14 -66.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.512 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 677' ' ' TYR . . . . . 0.458 ' HB3' ' HZ2' ' B' ' 443' ' ' LYS . 0.3 OUTLIER -77.8 39.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 678' ' ' GLU . . . . . 0.446 ' OE1' ' OD2' ' C' ' 644' ' ' ASP . 31.3 tp10 -124.51 -28.64 3.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.28 -11.31 72.43 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 680' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' C' ' 682' ' ' SER . 17.8 m80 -72.01 -53.46 12.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.23 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 682' ' ' SER . . . . . 0.904 ' N ' ' O ' ' C' ' 680' ' ' HIS . 78.1 p -67.5 -24.25 65.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 683' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 1.0 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 684' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' C' ' 675' ' ' ALA . 64.2 t -41.91 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.545 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 685' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' C' ' 687' ' ' LEU . 19.8 tptp -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.93 1.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 687' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.5 tt -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 688' ' ' LEU . . . . . 0.486 HD12 ' O ' ' C' ' 693' ' ' ASP . 7.1 tt -45.68 -21.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 689' ' ' SER . . . . . 0.426 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.6 t -55.75 -21.56 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -99.68 -6.26 27.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 691' ' ' GLY . . . . . 1.092 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 692' ' ' ALA . . . . . 0.577 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.16 18.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 693' ' ' ASP . . . . . 1.092 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.7 OUTLIER 33.13 -128.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -152.47 -23.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 38.0 m -156.53 73.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.552 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.5 -29.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -140.18 23.57 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.77 20.32 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 699' ' ' PRO . . . . . 0.785 ' HG2' HD22 ' C' ' 702' ' ' LEU . 89.3 Cg_exo -44.8 -27.76 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 0.0 112.11 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 700' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 21.7 t70 157.72 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.37 89.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 702' ' ' LEU . . . . . 0.785 HD22 ' HG2' ' C' ' 699' ' ' PRO . 8.3 mp -53.9 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 91.0 m 16.15 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 704' ' ' ALA . . . . . 0.424 ' N ' HG22 ' C' ' 703' ' ' THR . . . -106.67 -18.65 13.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 705' ' ' LEU . . . . . 0.627 HD23 HD23 ' C' ' 717' ' ' LEU . 0.3 OUTLIER -62.83 -75.51 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 706' ' ' GLU . . . . . 0.581 ' HB3' ' HG ' ' C' ' 702' ' ' LEU . 3.5 tt0 -80.67 15.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.43 -70.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 708' ' ' THR . . . . . 0.641 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.7 m -139.79 -142.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 709' ' ' ASP . . . . . 0.641 ' H ' HG22 ' C' ' 708' ' ' THR . 78.4 m-20 -148.82 -4.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -72.57 151.84 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.55 -20.52 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.17 -60.41 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.666 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.02 -37.67 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -52.04 -29.93 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 716' ' ' LEU . . . . . 1.078 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.03 98.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 717' ' ' LEU . . . . . 1.078 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.2 mp 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 718' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.615 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.1 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -45.98 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.9 m-20 -64.89 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.45 -39.35 87.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.58 -40.93 84.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 13' ' ' LYS . 9.1 mtmp? -63.69 -35.92 82.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' ASP . 64.5 t -65.23 -43.79 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -61.53 -39.73 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -47.38 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.567 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.7 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.89 -41.34 91.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.16 -44.85 87.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.48 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.0 p -76.01 8.44 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.69 15.28 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.93 81.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.9 Cg_endo -68.16 167.54 21.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.808 2.338 . . . . 0.0 112.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -70.94 116.25 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.692 2.261 . . . . 0.0 112.108 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.15 21.44 35.54 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.547 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 52.1 mt-10 -149.3 37.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -73.85 -48.89 27.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -57.06 -57.39 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -44.5 -54.46 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 36' ' ' VAL . 54.8 t -60.78 -42.53 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 77.4 t80 -59.15 -50.88 72.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.04 -37.93 81.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.684 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.08 -42.07 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 32' ' ' VAL . 94.8 t -67.06 -41.83 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.595 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HE ' ' CD2' ' A' ' 46' ' ' LEU . 42.3 ttm180 -56.4 -54.85 40.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.28 -34.77 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -73.17 -49.8 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 HD22 ' B' ' 331' ' ' LEU . 13.6 tp -61.71 -32.6 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.464 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.58 49.71 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.9 m-20 -168.63 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.656 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -51.86 -37.87 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -54.2 -44.15 71.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.32 -30.81 54.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 36.9 tp -62.81 -38.64 91.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -40.92 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.581 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.91 48.65 0.92 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.13 -56.72 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.612 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.57 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -54.23 -37.08 64.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.36 12.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.474 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.55 -56.65 5.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 55' ' ' ALA . 59.4 tt0 -33.58 -45.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.02 -72.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -46.98 -30.96 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.611 ' SD ' ' N ' ' A' ' 60' ' ' ASP . 12.7 tmm? -68.84 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 57.8 m-20 -67.94 10.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 98.4 mm-40 -124.53 24.78 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.91 44.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 20.7 m -58.85 111.32 3.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.599 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.69 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.873 2.382 . . . . 0.0 112.208 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.435 HG11 ' CE1' ' A' ' 98' ' ' PHE . 34.0 m -109.44 165.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -125.21 103.93 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.66 ' O ' ' C ' ' A' ' 68' ' ' GLU . 1.6 mp -51.5 148.3 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.66 ' C ' ' O ' ' A' ' 67' ' ' ILE . 81.8 tt0 -13.28 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.44 75.1 0.32 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.798 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -137.48 14.84 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.619 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 62.1 t0 20.15 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 1.061 ' O ' ' N ' ' A' ' 74' ' ' VAL . 46.7 p-10 -98.82 19.43 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 23.6 mt-30 -0.23 50.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.487 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.061 ' N ' ' O ' ' A' ' 72' ' ' ASP . 10.3 p -63.93 173.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.886 HD22 ' C ' ' A' ' 74' ' ' VAL . 2.4 mm? -113.4 152.29 30.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.505 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -104.05 105.5 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 62' ' ' PHE . 16.5 p -130.15 -176.88 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.61 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -78.87 -31.24 45.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.562 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.0 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.23 15.7 50.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.51 100.08 11.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.77 0.319 . . . . 0.0 110.596 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.8 tp -49.67 -51.53 37.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -116.06 1.21 13.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.77 9.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -108.34 168.72 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.528 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 55.0 m-85 -114.51 -170.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.3 tp -118.33 157.39 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.697 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 5.7 t0 -139.35 89.05 12.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.569 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 24.2 Cg_exo -61.04 -36.63 81.35 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.847 2.364 . . . . 0.0 111.992 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -59.48 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.461 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.56 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 1.9 m120 -76.44 -20.33 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.581 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.697 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 28.3 ttmt 62.75 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.515 ' CD1' ' CD2' ' A' ' 70' ' ' TYR . 21.7 pt -146.52 154.42 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.822 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.7 m -92.65 133.02 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.588 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.707 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 24.0 p90 -140.14 136.62 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.4 tttt -88.69 113.42 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.61 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.867 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 46.9 t80 -82.65 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.562 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 32.4 t0 -104.56 90.05 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.36 -67.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.0 tp -47.46 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.3 tpt180 -52.76 156.29 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -88.87 2.31 53.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -117.21 150.26 39.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.867 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.26 79.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 60.5 m -95.57 -164.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.72 54.55 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.556 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.822 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.55 -177.8 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.812 2.341 . . . . 0.0 112.083 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.13 124.6 2.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -47.17 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.885 2.39 . . . . 0.0 112.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 11.1 tm-20 -122.91 102.5 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 49.4 p-10 -75.48 88.43 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.417 ' H ' ' HD3' ' A' ' 93' ' ' LYS . 9.4 t -46.92 164.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.11 -30.02 58.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.649 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.92 35.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.75 -59.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.501 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.814 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 21.3 tp -104.09 3.32 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.521 ' HB2' ' HZ2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.466 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -39.18 -55.96 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.706 ' CD1' HD12 ' A' ' 117' ' ' LEU . 60.5 m95 -62.54 -47.6 83.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.563 ' O ' ' C ' ' A' ' 122' ' ' ASP . 3.0 tmm_? -53.9 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.563 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.4 t0 -25.51 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.489 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.3 m -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.442 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.42 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.56 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 81.2 p -47.99 -46.16 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.33 -51.43 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.83 -12.29 60.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.469 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.56 ' HB3' ' O ' ' A' ' 126' ' ' SER . 44.9 ttm180 -66.37 -32.81 74.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.56 -39.26 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -54.73 -38.81 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.465 ' C ' ' H ' ' A' ' 134' ' ' ASP . 99.2 t -74.79 -40.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.475 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.4 mttt -76.16 25.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.3 m-20 -147.58 7.63 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.532 ' OH ' ' CE2' ' A' ' 173' ' ' TRP . 85.0 m-85 -114.63 106.45 52.22 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.58 -57.24 2.3 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.829 2.352 . . . . 0.0 112.031 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.62 12.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.536 ' CZ ' ' OE1' ' A' ' 73' ' ' GLN . 61.7 m-85 -135.1 158.13 45.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.338 . . . . 0.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.36 28.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . 0.473 ' OG1' HD23 ' A' ' 75' ' ' LEU . 27.2 m -161.46 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 90' ' ' PRO . 41.5 t -75.73 143.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.594 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 43.3 m-85 -120.2 124.34 45.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.59 0.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -123.79 167.41 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.537 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 47.2 t -107.64 115.41 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 148' ' ' ILE . 1.2 tp -91.13 104.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 46.68 54.19 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.18 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.77 129.79 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.639 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 0.648 ' H ' HG21 ' A' ' 181' ' ' ILE . 8.7 mt-30 -85.76 150.51 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.472 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.962 HG23 ' C ' ' A' ' 179' ' ' PHE . 99.4 m -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.655 HD11 ' HB2' ' A' ' 120' ' ' TRP . 15.6 mm -108.49 109.98 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.436 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 155' ' ' ILE . 3.2 mp -98.08 117.05 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.88 116.08 27.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.209 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.0 m -106.14 135.43 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 4.9 mp -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.542 ' OE2' ' ND1' ' A' ' 161' ' ' HIS . 14.7 tm-20 -131.3 151.91 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.727 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.0 OUTLIER -170.94 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.186 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 161' ' ' HIS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 8.0 p-80 -140.65 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.972 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -148.62 77.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.223 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -65.35 147.43 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.599 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 30.4 tp60 -167.93 66.08 0.74 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.349 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.2 Cg_exo -60.69 -52.09 4.18 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.803 2.335 . . . . 0.0 112.139 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.687 ' N ' ' O ' ' A' ' 165' ' ' PRO . 58.0 t-20 -121.96 -10.48 8.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.832 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 44.1 m-85 70.11 80.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.832 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 9.3 p-90 158.81 127.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -136.02 162.39 33.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.566 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 0.1 OUTLIER -165.7 136.65 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.353 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 173' ' ' TRP . . . . . 0.727 ' N ' ' O ' ' A' ' 160' ' ' SER . 3.4 t-105 -107.6 138.92 42.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.429 ' HB3' ' CB ' ' A' ' 193' ' ' LYS . 39.5 ttt180 -125.41 152.26 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.165 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.425 ' HB2' ' NE1' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -166.3 111.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.015 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.9 tt0 -116.41 124.68 50.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.119 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 24.4 m95 -120.59 116.91 26.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.902 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -98.6 119.79 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.416 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.962 ' C ' HG23 ' A' ' 153' ' ' THR . 56.9 t80 -117.49 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.744 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.95 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.9 t -50.09 -131.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.577 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 182' ' ' THR . 9.9 tp -164.35 151.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.927 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.46 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.427 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 1.036 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 95.9 Cg_exo -34.32 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 123.434 2.756 . . . . 0.0 112.713 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' PRO . . . . . 0.927 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.9 Cg_endo -79.84 -4.34 13.33 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.805 2.336 . . . . 0.0 112.089 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' THR . . . . . 1.039 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.261 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.175 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.84 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.961 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 1.029 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 85.5 mt-30 -106.76 -115.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.217 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.1 t 145.67 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.79 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.447 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.813 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.7 p -165.73 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.501 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 192' ' ' LEU . . . . . 0.69 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 3.2 mp -85.57 157.82 20.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' LYS . . . . . 0.429 ' CB ' ' HB3' ' A' ' 174' ' ' ARG . 27.8 mttt -150.36 147.86 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 5.7 mt -149.49 134.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 195' ' ' GLN . . . . . 0.483 ' OE1' ' NE2' ' A' ' 205' ' ' GLN . 6.9 tt0 -142.33 130.24 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 70.6 t -132.67 136.61 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.157 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 197' ' ' HIS . . . . . 0.763 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 73.3 t60 -126.49 141.56 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 198' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 53.7 t80 -145.56 87.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.06 87.77 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 60.7 tt0 -129.47 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 87.6 m-20 114.78 2.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.7 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -172.84 99.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.636 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.0 129.19 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.526 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 205' ' ' GLN . . . . . 0.705 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.7 tt0 -136.77 154.15 50.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.707 HD12 ' OH ' ' A' ' 247' ' ' TYR . 4.7 tt -122.34 87.26 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.676 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 207' ' ' VAL . . . . . 0.486 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 11.2 t -90.14 122.27 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 22.9 t -149.59 147.2 27.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 209' ' ' HIS . . . . . 0.555 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 6.5 p80 -157.81 145.1 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -135.44 129.06 32.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 110.926 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 211' ' ' ASP . . . . . 0.454 ' OD1' HG23 ' A' ' 191' ' ' VAL . 63.4 m-20 -103.62 129.83 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.215 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.86 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.923 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.366 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 214' ' ' ASP . . . . . 0.627 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 93.0 m-20 -118.8 166.05 13.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.718 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 215' ' ' SER . . . . . 1.029 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 94.8 p -117.82 103.35 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 216' ' ' VAL . . . . . 1.175 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 97.9 t -91.9 166.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.677 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 217' ' ' GLN . . . . . 1.039 ' HA ' ' O ' ' A' ' 185' ' ' THR . 0.0 OUTLIER -102.65 128.06 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.618 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 218' ' ' VAL . . . . . 1.06 HG23 ' HB2' ' A' ' 186' ' ' ALA . 83.2 t -85.99 137.51 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.1 t -131.08 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 -163.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -86.8 -62.64 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.08 -24.75 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -73.91 -56.77 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 96.4 m -54.66 -36.84 65.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.09 14.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -57.06 -30.56 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.6 -38.77 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 228' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 10.6 t80 -67.72 -53.95 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.409 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 229' ' ' ILE . . . . . 0.647 ' O ' HG12 ' A' ' 232' ' ' ILE . 1.7 mp -52.11 -27.35 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.409 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -74.85 -36.69 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 231' ' ' ILE . . . . . 0.469 HG13 HG21 ' A' ' 216' ' ' VAL . 32.2 mm -67.55 -41.19 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.442 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 232' ' ' ILE . . . . . 0.647 HG12 ' O ' ' A' ' 229' ' ' ILE . 7.7 pt -70.14 -44.46 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.377 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 233' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' A' ' 236' ' ' GLU . 81.7 tt0 -57.05 -47.03 81.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.466 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -69.62 -43.88 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.428 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 236' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 233' ' ' GLU . 1.1 pp20? -60.25 -44.12 95.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.404 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 237' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 233' ' ' GLU . 74.6 m-20 -60.07 -40.14 88.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.427 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -69.83 -34.33 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 239' ' ' TYR . . . . . 0.446 ' CZ ' HD11 ' A' ' 243' ' ' ILE . 45.0 t80 -68.5 -44.37 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -68.22 -39.0 82.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 20.0 m -61.38 -45.79 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.65 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 243' ' ' ILE . . . . . 0.446 HD11 ' CZ ' ' A' ' 239' ' ' TYR . 40.9 mt -69.19 -47.55 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.67 -34.2 73.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -66.95 -42.9 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 246' ' ' ASN . . . . . 0.42 ' O ' ' SD ' ' A' ' 250' ' ' MET . 98.3 m-20 -62.12 -34.62 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.512 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 247' ' ' TYR . . . . . 0.707 ' OH ' HD12 ' A' ' 206' ' ' LEU . 0.5 OUTLIER -64.92 -31.87 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -73.25 -50.87 19.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 249' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' A' ' 253' ' ' THR . 24.3 m -64.79 -34.84 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 250' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 31.2 mtp -72.83 -14.56 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.0 p -112.95 -10.09 13.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 252' ' ' ASP . . . . . 0.696 ' O ' ' OG1' ' A' ' 253' ' ' THR . 67.3 t0 -132.12 47.76 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.567 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 253' ' ' THR . . . . . 0.696 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 17.5 m 175.76 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 254' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 12.1 m -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -47.68 -57.47 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -64.27 -11.71 34.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.27 30.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -77.98 -91.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 259' ' ' ARG . . . . . 0.464 ' HD2' ' CH2' ' B' ' 448' ' ' TRP . 16.5 ptm180 -98.58 174.44 6.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.464 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 260' ' ' ARG . . . . . 0.566 ' NH1' ' OE1' ' C' ' 633' ' ' GLU . 27.0 mmt180 -109.16 153.19 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 261' ' ' GLN . . . . . 0.4 ' O ' HD12 ' A' ' 262' ' ' LEU . 10.9 pt20 -83.69 -11.28 57.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.2 OUTLIER -163.58 133.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.525 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 263' ' ' PRO . . . . . 0.719 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.1 Cg_exo -43.99 135.36 7.95 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.934 2.423 . . . . 0.0 112.059 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 264' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 265' ' ' THR . 6.3 m -37.72 -38.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 265' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 267' ' ' THR . 67.1 p -64.25 -5.39 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 63.3 ttt180 54.06 55.61 8.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.547 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.26 114.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.3 mttt -16.76 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 269' ' ' ILE . . . . . 0.421 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 10.8 tt -50.25 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.4 OUTLIER -117.15 58.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.521 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 271' ' ' TRP . . . . . 0.603 ' O ' ' N ' ' A' ' 274' ' ' ILE . 83.0 m95 -21.45 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 272' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.8 t-20 -44.59 -25.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 273' ' ' LYS . . . . . 1.243 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 63.3 mttp -99.95 -7.68 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 274' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 274' ' ' ILE . 2.0 mp -103.22 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.06 44.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.569 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 276' ' ' SER . . . . . 1.296 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.6 m 141.93 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 1.243 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.4 t80 -31.01 43.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 278' ' ' LYS . . . . . 1.296 ' N ' ' O ' ' A' ' 276' ' ' SER . 88.7 tttt -107.7 80.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 1.8 pt 54.23 3.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.48 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 302' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 10.7 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -42.72 -51.22 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -55.34 -34.15 63.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.474 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 305' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 302' ' ' SER . 95.7 mt-30 -60.71 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.23 -40.62 77.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.84 95.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.35 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.2 m -68.08 -37.11 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 309' ' ' ALA . . . . . 0.715 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.24 -42.2 96.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.296 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.31 -38.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.365 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.31 -33.69 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.379 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 64.0 tp -68.75 -43.76 75.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.377 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 69.4 mmm -64.39 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -82.3 -12.4 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.398 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 315' ' ' ARG . . . . . 0.617 HH11 ' HG2' ' B' ' 315' ' ' ARG . 5.7 mmt-85 -100.08 -46.84 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.522 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.63 147.75 95.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.69 128.4 21.14 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.827 2.352 . . . . 0.0 112.022 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 318' ' ' PRO . . . . . 0.426 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.2 Cg_endo -71.41 -4.1 14.31 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.88 2.387 . . . . 0.0 112.097 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.49 -17.89 50.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -123.88 39.49 3.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 321' ' ' ILE . . . . . 0.426 HG13 ' HA ' ' B' ' 318' ' ' PRO . 81.9 mt -63.43 -40.84 90.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.67 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.574 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.6 -54.45 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.49 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -54.61 -55.78 25.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.502 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 41.3 tp -47.18 -48.96 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.409 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.2 t -57.12 -49.63 75.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -62.38 -40.77 97.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 328' ' ' LEU . . . . . 0.715 HD21 ' HB1' ' B' ' 309' ' ' ALA . 60.8 tp -55.5 -41.03 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.511 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.47 -41.19 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.79 -37.9 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.448 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 331' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.2 mt -71.24 -29.09 64.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.53 84.59 9.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.12 -5.56 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.733 2.289 . . . . 0.0 112.059 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.36 -6.44 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.465 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 75.3 mt -119.03 20.89 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.614 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 336' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 28.2 p -64.06 -55.95 18.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.596 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 80.7 tt0 -60.34 -50.47 73.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.66 -36.21 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 339' ' ' LEU . . . . . 0.465 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 76.2 mt -79.07 -28.61 43.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 35.0 mt -81.49 12.42 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 57.0 p -144.13 -3.64 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 50.9 p -119.37 -15.55 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.85 120.08 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.84 128.66 35.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.502 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.34 165.91 29.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.4 125.25 5.8 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.869 2.379 . . . . 0.0 112.101 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 347' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' B' ' 347' ' ' LEU . 91.6 mt -66.71 122.49 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.675 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -88.65 148.84 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.6 tt -102.98 136.39 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.702 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 350' ' ' ALA . . . . . 0.809 ' HB2' HD11 ' B' ' 361' ' ' LEU . . . -123.66 157.67 33.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.466 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -114.37 143.35 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 29.2 t0 -111.9 81.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.7 mttp -37.27 -63.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.594 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 354' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 354' ' ' VAL . 0.1 OUTLIER -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 8.8 t -92.97 -25.48 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.626 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.72 70.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 69.8 mmtt -115.1 154.84 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 358' ' ' ASP . . . . . 0.717 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.6 m-20 -94.75 143.08 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.702 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 47.5 p90 -139.68 135.72 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.15 156.66 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 361' ' ' LEU . . . . . 0.809 HD11 ' HB2' ' B' ' 350' ' ' ALA . 5.4 mp -108.58 158.53 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 362' ' ' CYS . . . . . . . . . . . . . 21.4 p -168.2 168.68 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 6.0 p-10 -75.49 -10.33 59.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 364' ' ' TYR . . . . . 0.574 ' CG ' HG21 ' B' ' 431' ' ' VAL . 90.0 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.443 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 365' ' ' ASN . . . . . 0.533 ' HB3' ' CD2' ' B' ' 420' ' ' TYR . 5.4 p-10 -123.19 24.71 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 366' ' ' ARG . . . . . 0.502 HH12 HD22 ' B' ' 340' ' ' LEU . 21.1 ttm180 -119.9 129.85 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.556 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -122.16 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.83 1.76 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 369' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 369' ' ' ASP . 54.6 t0 -126.2 8.67 7.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.592 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 370' ' ' SER . . . . . 1.045 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 16.0 p -122.37 161.36 23.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 371' ' ' TYR . . . . . 1.113 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 55.5 m-85 -118.34 150.8 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 372' ' ' ARG . . . . . 0.613 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 1.8 ttt180 -98.75 124.72 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 373' ' ' SER . . . . . 0.591 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 62.8 p -79.6 133.78 58.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 374' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.2 Cg_endo -75.93 -14.73 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.799 2.332 . . . . 0.0 112.208 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -85.9 -66.29 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.1 p -83.14 -18.59 38.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 377' ' ' ASN . . . . . 0.591 ' HA ' ' O ' ' B' ' 373' ' ' SER . 5.3 m120 70.24 40.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -141.52 137.88 32.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 379' ' ' TYR . . . . . 1.113 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 31.7 m-85 -65.75 140.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 380' ' ' ASP . . . . . 0.771 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.98 -60.43 6.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.319 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 381' ' ' PRO . . . . . 1.045 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.43 120.07 7.21 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.984 2.456 . . . . 0.0 112.277 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -41.58 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.48 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.535 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -117.02 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 386' ' ' GLY . . . . . 0.414 ' CA ' HD23 ' B' ' 383' ' ' LEU . . . -72.16 151.71 47.44 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 387' ' ' ALA . . . . . 0.514 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.94 127.26 30.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 388' ' ' MET . . . . . 0.414 ' HB2' HH21 ' B' ' 394' ' ' ARG . 6.5 ptt? -132.27 148.62 70.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 389' ' ' PRO . . . . . 0.447 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.3 Cg_endo -73.01 150.78 49.16 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.769 2.313 . . . . 0.0 112.106 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 47.3 t -52.74 142.9 17.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.55 -43.82 5.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.86 -37.82 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.91 -42.44 69.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 394' ' ' ARG . . . . . 0.414 HH21 ' HB2' ' B' ' 388' ' ' MET . 44.4 ttm180 -55.32 -36.83 66.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.54 -46.57 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.4 -31.97 73.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -67.82 -38.0 82.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.04 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.73 -36.97 79.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.343 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.9 94.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -63.96 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.15 -40.42 68.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.37 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.95 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -69.36 -29.23 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.41 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 405' ' ' ASP . . . . . 0.456 ' CG ' HH21 ' B' ' 408' ' ' ARG . 64.0 t0 -54.67 -38.78 67.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.446 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -77.08 -32.87 57.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -69.76 -18.63 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.481 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 408' ' ' ARG . . . . . 0.575 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.86 -35.5 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 409' ' ' ASP . . . . . 0.45 ' OD1' ' NZ ' ' C' ' 604' ' ' LYS . 13.9 m-20 -85.18 -8.92 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.525 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 410' ' ' LEU . . . . . 0.671 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.9 mt -95.87 -17.89 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 411' ' ' TYR . . . . . 0.719 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.539 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.556 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 9.7 m-85 -100.59 -25.96 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.521 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 413' ' ' GLU . . . . . 0.418 ' HA ' ' HZ1' ' C' ' 604' ' ' LYS . 96.7 mt-10 63.54 24.34 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 414' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' B' ' 408' ' ' ARG . . . 162.72 -154.44 25.4 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.41 -163.45 52.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 416' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' B' ' 435' ' ' LYS . 13.2 m -128.74 153.7 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 417' ' ' SER . . . . . 0.575 ' N ' HH12 ' B' ' 408' ' ' ARG . 92.7 p -143.59 148.52 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 418' ' ' SER . . . . . 0.551 ' OG ' ' OH ' ' B' ' 420' ' ' TYR . 3.7 t -148.24 143.92 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.77 130.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.551 ' OH ' ' OG ' ' B' ' 418' ' ' SER . 0.8 OUTLIER -128.51 132.45 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.332 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 421' ' ' LEU . . . . . 0.406 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.1 mt -119.65 158.4 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -154.49 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.499 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -43.03 159.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 424' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' B' ' 429' ' ' ALA . 56.5 mt -127.8 -147.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.609 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -87.36 -49.76 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.81 30.65 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.66 2.57 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -170.71 154.15 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 429' ' ' ALA . . . . . 0.514 ' HB2' HD11 ' B' ' 424' ' ' LEU . . . -124.03 172.8 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.552 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 430' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.11 161.74 35.07 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 431' ' ' VAL . . . . . 0.574 HG21 ' CG ' ' B' ' 364' ' ' TYR . 83.1 t -130.09 126.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 432' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.36 113.66 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' B' ' 450' ' ' SER . 65.4 mt -102.87 143.19 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 434' ' ' ILE . . . . . 0.473 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.74 119.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.614 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 435' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' B' ' 416' ' ' VAL . 46.8 tttp -122.51 127.49 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 436' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.1 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.17 40.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.77 128.1 19.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.548 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.65 9.73 76.08 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 90.3 p -110.32 -4.33 15.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 442' ' ' LYS . . . . . 0.672 ' HZ3' ' HG2' ' C' ' 678' ' ' GLU . 31.4 mmtt -89.14 153.85 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.91 -43.79 81.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 444' ' ' ILE . . . . . 0.642 HG23 ' OG1' ' B' ' 479' ' ' THR . 57.5 mt -95.12 135.96 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -105.78 154.71 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.41 24.52 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 5.2 t -149.46 130.67 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 448' ' ' TRP . . . . . 0.54 ' CZ2' HG11 ' B' ' 473' ' ' VAL . 8.5 t-105 -114.79 116.18 28.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.44 127.18 54.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 450' ' ' SER . . . . . 0.473 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.9 122.76 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 87.0 mt -127.89 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.287 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 452' ' ' HIS . . . . . 0.513 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 8.3 m80 -108.64 132.37 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.875 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 453' ' ' VAL . . . . . 0.42 HG22 HG22 ' B' ' 431' ' ' VAL . 26.3 t -128.67 95.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.268 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 454' ' ' VAL . . . . . 0.411 HG22 ' N ' ' B' ' 455' ' ' GLU . 9.4 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 455' ' ' GLU . . . . . 0.411 ' N ' HG22 ' B' ' 454' ' ' VAL . 98.5 mt-10 -131.83 102.15 5.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.311 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 456' ' ' VAL . . . . . 0.414 HG22 ' CE2' ' B' ' 467' ' ' TYR . 58.2 t -79.05 139.65 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -123.48 68.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 458' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' B' ' 509' ' ' HIS . 80.5 mm-40 -40.29 146.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 459' ' ' LYS . . . . . 0.594 ' CG ' ' O ' ' B' ' 464' ' ' THR . 35.3 mmtm -109.33 141.91 41.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.97 -54.11 16.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 34.4 p -126.72 146.52 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 462' ' ' GLY . . . . . 0.528 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.7 48.15 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 463' ' ' ARG . . . . . 0.66 ' CG ' HH11 ' B' ' 463' ' ' ARG . 0.0 OUTLIER 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.584 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 464' ' ' THR . . . . . 0.594 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.25 123.66 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.454 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.75 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -92.91 126.54 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.333 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 467' ' ' TYR . . . . . 0.414 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.8 m-85 -103.17 139.46 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.968 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -135.85 86.14 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.191 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 469' ' ' LEU . . . . . 0.644 HD12 ' H ' ' B' ' 470' ' ' THR . 55.3 tp -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 470' ' ' THR . . . . . 0.644 ' H ' HD12 ' B' ' 469' ' ' LEU . 17.2 m -157.87 62.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.084 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 471' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 25.4 p -64.62 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.09 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 472' ' ' THR . . . . . 0.49 HG23 ' OG1' ' B' ' 494' ' ' THR . 52.7 m -168.81 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.128 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 473' ' ' VAL . . . . . 0.54 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 98.2 t -69.72 143.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 474' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 3.0 ttt -124.78 95.99 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.191 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 475' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 47.0 tp -86.68 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.258 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.34 124.67 21.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.747 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 478' ' ' GLN . . . . . 0.707 ' NE2' ' H ' ' B' ' 479' ' ' THR . 41.8 tp60 -138.17 158.08 45.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.472 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 479' ' ' THR . . . . . 0.707 ' H ' ' NE2' ' B' ' 478' ' ' GLN . 21.9 m -163.4 127.44 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.655 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 480' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.16 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttp -107.64 146.65 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.2 68.72 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 484' ' ' SER . . . . . 0.451 ' O ' ' N ' ' B' ' 486' ' ' THR . 37.6 p -125.96 14.86 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.525 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 486' ' ' THR . . . . . 0.555 ' HG1' ' CE1' ' A' ' 209' ' ' HIS . 11.7 p -126.06 114.02 17.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 487' ' ' MET . . . . . 0.444 ' O ' ' OE1' ' B' ' 478' ' ' GLN . 27.2 ttt -125.12 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.551 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 488' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' B' ' 488' ' ' ASN . 0.6 OUTLIER -119.06 123.98 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 489' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.4 tp -131.68 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.38 -163.86 21.82 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 491' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.86 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 492' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' B' ' 491' ' ' GLY . 23.4 t 163.22 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.487 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 493' ' ' LEU . . . . . 0.551 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.57 149.44 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 494' ' ' THR . . . . . 0.49 ' OG1' HG23 ' B' ' 472' ' ' THR . 55.5 m -127.11 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 495' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.6 mmt180 -149.96 128.74 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 496' ' ' GLN . . . . . 0.614 ' CD ' ' H ' ' B' ' 496' ' ' GLN . 1.0 OUTLIER -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.3 ttm -160.06 130.43 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.65 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -133.52 141.6 47.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -172.24 145.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 500' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.8 p-10 -91.29 125.19 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -120.67 160.17 23.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 52.2 m -94.3 131.86 39.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.57 122.4 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.4 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.88 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.0 p -83.68 -19.75 34.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 39.9 t -135.56 73.43 62.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 508' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.1 Cg_exo -72.61 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.166 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 509' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' B' ' 458' ' ' GLU . 57.0 m80 -58.69 -62.8 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.65 -49.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 511' ' ' ALA . . . . . 0.468 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -54.97 -49.23 71.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -62.98 -48.21 79.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 513' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 517' ' ' VAL . 68.7 mt -61.03 -33.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.61 74.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -57.33 -44.33 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.714 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.23 -52.52 61.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 517' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' B' ' 452' ' ' HIS . 74.1 t -55.43 -47.21 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.89 -51.69 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.769 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 519' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.6 t0 -63.54 -37.48 87.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.762 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 33.1 tpp -64.43 -49.37 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 521' ' ' GLU . . . . . 0.406 ' HB3' HH12 ' A' ' 259' ' ' ARG . 94.3 mt-10 -62.59 -45.29 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 522' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 23.3 t-20 -56.89 -41.46 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -70.59 -38.49 74.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.776 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 524' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' B' ' 524' ' ' ILE . 27.4 mm -74.44 -24.35 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 525' ' ' ARG . . . . . 0.649 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.68 -27.66 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.701 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 526' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.1 t -85.04 -38.71 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.713 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 61.8 p -66.07 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 528' ' ' LEU . . . . . 0.659 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 4.1 mp -64.97 -42.38 94.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -68.56 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 530' ' ' GLU . . . . . 0.963 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.32 -54.45 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.652 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.48 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 532' ' ' TYR . . . . . 0.659 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 20.9 m-85 -50.29 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.79 40.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 534' ' ' GLY . . . . . 0.963 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 535' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' B' ' 536' ' ' THR . 17.8 mtpt -56.91 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.514 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.642 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 42.4 p -34.72 -58.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.34 -53.32 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -53.16 -44.91 68.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 539' ' ' ILE . . . . . 0.598 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 36.0 mm -61.8 -36.03 71.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.44 -42.0 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.78 -17.1 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.32 48.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.461 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.11 -51.46 46.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 544' ' ' ARG . . . . . 0.545 ' NH1' ' CZ3' ' A' ' 173' ' ' TRP . 32.9 ptt180 -141.79 170.09 16.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 545' ' ' SER . . . . . . . . . . . . . 35.5 t -142.17 137.88 31.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 546' ' ' ILE . . . . . 0.518 HG23 ' N ' ' B' ' 547' ' ' ASP . 13.5 tt -69.1 -43.51 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 547' ' ' ASP . . . . . 0.518 ' N ' HG23 ' B' ' 546' ' ' ILE . 83.8 m-20 -82.9 138.61 33.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.625 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 548' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.48 122.08 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 551' ' ' ASP . 80.5 mt -79.49 112.78 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.5 Cg_exo -46.66 80.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 50.1 p-10 -25.32 145.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.635 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -129.86 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.27 -24.78 27.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' B' ' 558' ' ' LEU . 5.5 ttpm? -52.54 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -45.24 -56.64 4.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -46.94 83.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.706 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 557' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' B' ' 557' ' ' GLN . 15.6 tm0? -65.84 -29.62 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 558' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.2 tp -77.78 -30.4 51.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.55 -36.32 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -58.24 -40.54 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 561' ' ' GLU . . . . . 0.585 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.1 mm-40 -67.83 -61.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.706 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.878 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 49.3 tp -49.09 -40.71 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.7 m -61.19 -76.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.761 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 564' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' B' ' 564' ' ' GLN . 1.3 tm0? -36.71 -13.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.724 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.878 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.1 t -72.07 -42.68 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' B' ' 563' ' ' SER . 43.1 mt -81.46 -35.57 30.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.1 p -70.3 -19.62 63.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -117.55 6.66 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 569' ' ' ARG . . . . . 0.793 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 570' ' ' GLN . . . . . 0.859 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 0.9 OUTLIER 139.73 128.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.682 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 571' ' ' ILE . . . . . 0.859 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 57.1 mt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 601' ' ' MET . . . . . 0.506 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.2 m 62.15 5.96 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.515 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -49.81 -37.84 32.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 604' ' ' LYS . . . . . 0.45 ' NZ ' ' OD1' ' B' ' 409' ' ' ASP . 57.6 mttt -69.64 -52.22 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.1 -28.91 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -75.67 -53.64 8.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 607' ' ' MET . . . . . . . . . . . . . 38.4 ttp -72.87 -36.74 67.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -56.81 -16.0 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 609' ' ' ALA . . . . . 0.422 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.61 13.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.3 2.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 611' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' C' ' 609' ' ' ALA . 63.5 tttp -102.06 -66.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.35 -4.31 21.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 613' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.03 21.93 58.31 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 614' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' C' ' 617' ' ' GLU . 11.1 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 615' ' ' LEU . . . . . 0.944 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.6 tm? -44.98 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 616' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.7 m-20 -77.74 -27.52 50.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.527 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 617' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' C' ' 614' ' ' ASP . 53.1 tp10 -81.49 -49.86 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 618' ' ' VAL . . . . . 0.505 ' CG1' HD22 ' C' ' 615' ' ' LEU . 12.0 p -62.9 -28.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 619' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 63.5 tttm -66.29 -21.83 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 620' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.0 t0 -75.34 -45.4 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.94 -59.22 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.71 -27.88 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 623' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.67 -16.79 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.603 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 625' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.36 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 626' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' C' ' 625' ' ' GLY . 6.5 pt-20 34.26 95.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 627' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 89.2 m-20 -140.98 62.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 628' ' ' VAL . . . . . 0.656 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.3 t -121.93 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -173.02 5.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.668 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 630' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.8 mtt-85 -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.05 87.66 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.635 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 46.5 tp -31.35 -88.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.566 ' OE1' ' NH1' ' A' ' 260' ' ' ARG . 75.1 tt0 -71.71 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.66 -11.34 0.07 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 635' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.44 22.74 0.18 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -127.93 164.91 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 637' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' C' ' 639' ' ' LEU . 3.4 pttt -108.41 156.99 37.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 638' ' ' PRO . . . . . 0.503 ' O ' HD22 ' C' ' 654' ' ' LEU . 56.7 Cg_endo -73.68 25.07 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.83 2.354 . . . . 0.0 112.093 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 639' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' C' ' 637' ' ' LYS . 6.3 mp -117.78 -16.29 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.23 -43.86 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -71.73 -36.01 70.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.443 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 642' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.89 -44.97 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.47 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 644' ' ' ASP . . . . . 0.584 ' OD2' ' NZ ' ' B' ' 442' ' ' LYS . 16.7 t0 -60.63 -35.69 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 21.8 p -160.89 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 646' ' ' GLY . . . . . 0.674 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 647' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.1 mt-30 51.74 4.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.493 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 648' ' ' LEU . . . . . 0.878 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.57 7.01 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.8 -12.58 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.57 -36.12 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.618 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 1.125 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.31 -52.95 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 652' ' ' GLU . . . . . 0.859 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 44.4 tt0 -56.22 -22.58 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 85.3 t80 -75.84 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 654' ' ' LEU . . . . . 0.656 ' O ' HG11 ' C' ' 628' ' ' VAL . 0.6 OUTLIER -41.41 6.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.8 tp -102.91 -47.87 4.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.564 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.31 -25.41 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -72.75 -90.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 658' ' ' GLY . . . . . 0.592 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.33 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 659' ' ' ALA . . . . . 0.697 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.03 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.565 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 660' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' C' ' 662' ' ' ASN . 70.2 m-20 -57.4 10.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 661' ' ' ILE . . . . . 0.697 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.3 tt -66.04 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 662' ' ' ASN . . . . . 1.096 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 21.6 t30 -163.68 -18.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 663' ' ' ALA . . . . . 0.76 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.61 0.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 664' ' ' PRO . . . . . 1.096 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 58.9 Cg_exo -47.0 120.82 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.104 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 665' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.6 p-10 -125.88 -50.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 666' ' ' LYS . . . . . 0.422 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 43.7 mmtm -78.76 -16.19 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 667' ' ' HIS . . . . . 0.527 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 37.8 m80 -80.45 -6.32 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 40.52 37.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 669' ' ' ILE . . . . . 0.485 HG22 ' O ' ' C' ' 667' ' ' HIS . 15.7 tt -176.84 147.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 670' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 671' ' ' PRO . . . . . 0.461 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.53 -30.49 12.16 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.105 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 10.2 tp -45.37 -49.03 13.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 673' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' C' ' 703' ' ' THR . 14.3 mt -67.88 -27.81 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 674' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.3 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.534 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 675' ' ' ALA . . . . . 0.407 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.57 -29.97 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 676' ' ' VAL . . . . . 0.648 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 4.0 t -47.18 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 677' ' ' TYR . . . . . 0.482 ' N ' HG12 ' C' ' 676' ' ' VAL . 1.5 t80 -77.81 39.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 678' ' ' GLU . . . . . 0.672 ' HG2' ' HZ3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -124.47 -28.67 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.3 72.46 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 680' ' ' HIS . . . . . 0.897 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.5 m80 -72.0 -53.47 12.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 681' ' ' VAL . . . . . 0.753 ' O ' HG22 ' C' ' 684' ' ' VAL . 9.4 m 43.27 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 682' ' ' SER . . . . . 0.897 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.2 m -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 683' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.0 p -90.92 -48.68 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 684' ' ' VAL . . . . . 0.753 HG22 ' O ' ' C' ' 681' ' ' VAL . 2.9 m -41.89 -34.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 685' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' C' ' 687' ' ' LEU . 98.7 mttt -62.52 -73.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.94 1.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 687' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' C' ' 685' ' ' LYS . 8.2 tp -81.95 -70.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 688' ' ' LEU . . . . . 0.426 ' N ' HD12 ' C' ' 688' ' ' LEU . 10.9 mp -45.64 -21.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 689' ' ' SER . . . . . 0.41 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.7 m -55.73 -21.52 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -99.64 -6.31 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.579 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.5 OUTLIER 33.14 -128.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 694' ' ' LYS . . . . . 0.5 ' HG3' HG22 ' C' ' 695' ' ' THR . 61.8 pttt -152.49 -23.69 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 695' ' ' THR . . . . . 0.687 ' O ' HG23 ' C' ' 695' ' ' THR . 9.3 t -156.49 73.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.558 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 696' ' ' VAL . . . . . 0.429 HG22 ' OD2' ' C' ' 693' ' ' ASP . 4.9 t -93.45 -29.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -140.16 23.55 2.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.72 142.75 20.3 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 699' ' ' PRO . . . . . 0.641 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 76.3 Cg_exo -44.77 -27.73 2.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.817 2.345 . . . . 0.0 112.162 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 700' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 36.2 t0 157.7 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 701' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.8 tt -53.85 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.577 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 703' ' ' THR . . . . . 0.884 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 0.0 OUTLIER 16.16 -95.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 704' ' ' ALA . . . . . 0.525 ' N ' ' OG1' ' C' ' 703' ' ' THR . . . -106.61 -18.66 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 705' ' ' LEU . . . . . 0.56 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.6 tt -62.87 -75.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -80.76 15.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 707' ' ' ALA . . . . . 0.884 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 708' ' ' THR . . . . . 0.575 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.3 m -139.76 -142.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 709' ' ' ASP . . . . . 0.575 ' H ' HG22 ' C' ' 708' ' ' THR . 52.8 p30 -148.78 -4.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -72.56 151.84 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -71.56 -20.52 62.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.3 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -37.72 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.01 -29.94 23.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 716' ' ' LEU . . . . . 1.072 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.06 98.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 717' ' ' LEU . . . . . 1.072 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.5 mm? 124.11 -176.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.595 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 718' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 34.6 tt0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.595 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 8' ' ' VAL . 11.2 p -54.08 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.759 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.1 t -45.98 163.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.94 -33.56 76.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.49 -39.32 87.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' HG2' HH21 ' A' ' 15' ' ' ARG . 95.2 mt-10 -67.55 -40.97 84.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -63.77 -35.89 82.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.19 -43.78 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.416 HH21 ' HG2' ' A' ' 12' ' ' GLU . 74.4 mtm180 -61.6 -39.66 92.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.719 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.445 HD12 ' CG ' ' B' ' 327' ' ' ASP . 38.2 mm -65.47 -47.33 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.86 75.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.58 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.6 tttt -65.91 -41.37 91.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -65.14 -44.89 87.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.62 -46.52 85.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -76.02 8.48 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.618 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -123.74 15.35 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.93 81.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.544 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 17.6 Cg_endo -68.16 167.52 21.71 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.806 2.338 . . . . 0.0 112.054 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.552 ' O ' ' ND2' ' A' ' 170' ' ' ASN . 47.8 Cg_endo -70.91 116.16 4.56 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.755 2.303 . . . . 0.0 112.175 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.12 21.57 35.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.544 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 47.8 mp0 -149.34 37.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.803 0.335 . . . . 0.0 110.523 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 51.7 p90 -73.94 -48.86 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 42.0 t30 -57.05 -57.32 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.563 ' CD ' HH21 ' B' ' 315' ' ' ARG . 99.0 mt-10 -44.54 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.83 -42.48 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 39.4 t80 -59.24 -50.81 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.11 -37.89 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.1 -42.07 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.04 -41.88 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -56.32 -54.79 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.404 HD22 ' SG ' ' B' ' 308' ' ' CYS . 9.8 mp -59.34 -34.76 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 mt -73.2 -49.72 26.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD12 HD22 ' B' ' 331' ' ' LEU . 13.4 tp -61.75 -32.63 72.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.554 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.0 t30 46.61 49.69 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.6 m-20 -168.6 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -51.89 -37.88 54.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.615 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -54.14 -44.17 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.31 -30.87 54.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 40.1 tp -62.74 -38.68 91.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -66.25 -35.47 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -41.06 -59.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.09 -56.83 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.607 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.54 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -54.29 -37.05 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.576 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.4 12.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.55 -56.62 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.56 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' ALA . 67.4 tp60 -33.61 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.567 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -60.02 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -46.97 -30.94 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.692 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -68.88 -66.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.692 ' N ' ' HG3' ' A' ' 59' ' ' MET . 53.9 t0 -67.94 10.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 1.3 tm0? -124.5 24.76 7.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.618 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 51.7 m-85 23.9 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.488 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.0 m -58.78 111.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -75.68 115.17 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.943 2.429 . . . . 0.0 112.212 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.626 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.5 p -109.38 165.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.626 ' N ' HG22 ' A' ' 65' ' ' VAL . 13.0 ptpt -125.19 103.99 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 43.9 mt -51.56 148.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 78.1 tt0 -13.24 -78.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.37 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 67.1 m-85 -137.41 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 13.8 p-10 20.17 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 1.068 ' O ' ' N ' ' A' ' 74' ' ' VAL . 55.2 t0 -98.76 19.37 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 12.6 mm100 -0.24 50.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.068 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.8 p -63.98 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.727 ' N ' HG22 ' A' ' 74' ' ' VAL . 42.5 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.511 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.04 105.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.57 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 4.9 p -130.12 -176.97 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.612 ' N ' ' SD ' ' A' ' 59' ' ' MET . 14.3 tm-20 -78.72 -31.33 46.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.629 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 144' ' ' TYR . 32.7 m-70 -63.89 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.67 50.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -85.45 100.02 11.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.6 -51.57 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -116.16 1.31 13.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.742 0.306 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.16 -15.76 9.35 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.639 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.67 9.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.555 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 54.0 m-85 -114.5 -170.61 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' OH ' ' A' ' 144' ' ' TYR . 80.3 mt -118.29 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.7 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 33.6 t0 -139.3 89.04 12.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.1 Cg_endo -61.03 -36.68 81.23 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.834 2.356 . . . . 0.0 112.005 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.705 HH22 ' NH2' ' A' ' 129' ' ' ARG . 64.8 mtp180 -59.49 -75.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -20.35 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.514 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.7 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 67.9 mttm 62.72 62.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.553 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 33.1 pt -146.48 154.46 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.817 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 2.1 t -92.71 133.0 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 31.1 p90 -140.08 136.67 33.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.697 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 64.4 tttm -88.7 113.39 24.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.872 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 52.1 t80 -82.65 133.06 35.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 102' ' ' ARG . 5.0 m-20 -104.56 90.2 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -36.45 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.623 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.5 tp -47.45 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.576 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.5 tpp180 -52.85 156.31 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -88.85 2.29 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 80.6 mm-40 -117.19 150.21 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.872 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.22 79.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 71.4 m -95.52 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.5 OUTLIER 73.7 54.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.542 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.817 ' HA ' ' O ' ' A' ' 95' ' ' SER . 59.1 Cg_endo -73.5 -177.82 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.866 2.377 . . . . 0.0 112.046 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.811 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.1 tt0 -160.11 124.57 2.11 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -47.16 130.99 17.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -122.88 102.49 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 51.2 p-10 -75.48 88.41 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.669 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 68.7 p -46.89 164.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.549 ' H ' ' HD3' ' A' ' 118' ' ' LYS . 2.0 p 71.96 35.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.77 -59.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 59.9 tp -104.14 3.31 32.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.551 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -53.93 -41.93 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.521 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' LYS . 85.2 mt-30 -39.24 -55.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -62.57 -47.62 83.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.819 HH21 ' H ' ' A' ' 145' ' ' GLY . 23.8 ttm180 -53.88 -80.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.566 ' C ' ' O ' ' A' ' 121' ' ' ARG . 82.8 m-20 -25.41 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.5 t -51.11 -48.57 61.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.465 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.1 t0 -40.42 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.1 m -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.41 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.83 -12.27 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.705 ' NH2' HH22 ' A' ' 91' ' ' ARG . 22.1 tpt180 -66.33 -32.78 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.68 -39.22 24.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TYR . . . . . 0.46 ' HB2' ' CG2' ' A' ' 229' ' ' ILE . 45.8 t80 -54.76 -38.8 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 136' ' ' TYR . 4.7 p -74.74 -40.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 52.4 mmtt -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.2 m-20 -147.58 7.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.511 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.509 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.3 m80 -151.05 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.504 ' OH ' ' NE1' ' A' ' 173' ' ' TRP . 37.3 m-85 -114.68 106.45 52.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.767 2.312 . . . . 0.0 112.044 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -127.56 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.62 12.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.622 ' HB2' HD21 ' A' ' 75' ' ' LEU . 67.7 m-85 -135.08 158.15 45.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.844 0.354 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.5 p -129.55 162.29 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 78.2 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 47.4 t -75.74 143.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 146' ' ' LYS . 11.1 t80 -120.24 124.28 45.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.819 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.73 84.51 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.575 ' CG ' ' N ' ' A' ' 147' ' ' SER . 55.0 tttm -123.79 167.33 14.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.358 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' A' ' 146' ' ' LYS . 72.5 m -107.57 115.44 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 20.9 mt -91.1 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 59.0 t0 46.61 54.23 9.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.73 4.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLN . . . . . 0.732 ' CG ' ' O ' ' A' ' 148' ' ' ILE . 10.1 pt20 -53.84 129.83 35.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLN . . . . . 1.053 ' O ' HG13 ' A' ' 181' ' ' ILE . 10.5 mt-30 -85.76 150.49 24.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 2.7 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.678 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ILE . . . . . 0.492 HD13 HD21 ' A' ' 117' ' ' LEU . 10.3 mm -108.52 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.427 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 144' ' ' TYR . 2.9 mt -98.11 117.08 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.9 116.03 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.1 m -106.04 135.43 47.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.77 137.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.199 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.6 tm-20 -131.39 151.92 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.991 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 161' ' ' HIS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 8.3 p-80 -140.7 170.55 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.982 0.42 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -148.56 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.238 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -65.41 147.5 53.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.001 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.49 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 0.4 OUTLIER -167.96 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.295 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 165' ' ' PRO . . . . . 0.682 ' O ' ' N ' ' A' ' 167' ' ' ASN . 23.8 Cg_exo -60.73 -52.04 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.736 2.291 . . . . 0.0 112.165 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ASN . . . . . 0.682 ' N ' ' O ' ' A' ' 165' ' ' PRO . 0.6 OUTLIER -121.95 -10.43 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 168' ' ' PHE . . . . . 0.829 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 50.3 m-85 70.07 80.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' TRP . . . . . 0.829 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.1 p-90 158.83 127.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.711 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 26' ' ' PRO . 1.6 p-10 -135.99 162.35 33.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.528 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.11 29.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' ARG . . . . . 0.701 HH11 ' NE ' ' A' ' 174' ' ' ARG . 9.2 ttm180 -165.68 136.61 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.383 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' TRP . . . . . 0.841 ' CZ3' HD11 ' A' ' 194' ' ' ILE . 7.1 t-105 -107.55 138.92 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.701 ' NE ' HH11 ' A' ' 172' ' ' ARG . 73.2 mtm180 -125.31 152.31 44.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.226 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' SER . . . . . 0.643 ' HG ' ' HE1' ' A' ' 173' ' ' TRP . 0.7 OUTLIER -166.31 111.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.046 -179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 81.8 tt0 -116.36 124.73 50.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.128 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' TRP . . . . . 0.887 ' CZ2' HG23 ' A' ' 232' ' ' ILE . 40.3 m95 -120.63 117.0 26.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.64 119.81 38.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.335 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' PHE . . . . . 0.72 ' O ' ' HA ' ' A' ' 153' ' ' THR . 19.5 m-85 -117.47 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.745 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 181' ' ' ILE . 18.8 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' ILE . . . . . 1.053 HG13 ' O ' ' A' ' 152' ' ' GLN . 1.8 pp -164.34 151.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.637 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' THR . . . . . 0.931 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.47 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.433 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 1.056 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.2 Cg_exo -34.41 12.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.447 2.764 . . . . 0.0 112.68 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 184' ' ' PRO . . . . . 0.931 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.1 Cg_endo -79.92 -4.26 13.25 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.834 2.356 . . . . 0.0 112.101 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' THR . . . . . 1.037 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.69 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.296 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.169 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.89 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.925 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' GLN . . . . . 1.048 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 3.1 mp0 -106.8 -114.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.2 t 145.64 173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' ALA . . . . . 0.776 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.44 -167.52 2.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.545 HG23 ' OD1' ' A' ' 211' ' ' ASP . 2.0 p -165.78 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.5 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 192' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 192' ' ' LEU . 6.9 mp -85.55 157.84 20.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -150.35 147.77 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 194' ' ' ILE . . . . . 0.841 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 23.9 mt -149.45 134.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.23 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -142.32 130.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.958 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.704 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.2 t -132.69 136.66 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.092 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 197' ' ' HIS . . . . . 0.759 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 11.1 t60 -126.56 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 198' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 51.0 t80 -145.55 87.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.607 ' CG ' ' O ' ' A' ' 199' ' ' TYR . 1.4 t80 -100.08 87.72 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 200' ' ' GLU . . . . . 1.066 ' O ' ' CG ' ' A' ' 201' ' ' ASP . 58.2 tt0 -129.41 52.18 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 201' ' ' ASP . . . . . 1.066 ' CG ' ' O ' ' A' ' 200' ' ' GLU . 51.1 p30 114.82 2.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.393 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 202' ' ' GLY . . . . . 0.432 ' HA3' HD22 ' B' ' 493' ' ' LEU . . . -157.66 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -172.82 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 129.16 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 205' ' ' GLN . . . . . 0.704 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 9.8 mt-30 -136.81 154.14 50.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 206' ' ' LEU . . . . . 0.481 HD22 ' OH ' ' A' ' 247' ' ' TYR . 12.7 tp -122.27 87.17 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.02 122.21 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.419 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 7.2 p -149.61 147.22 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.747 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -157.82 145.15 18.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.162 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -135.44 129.03 32.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 211' ' ' ASP . . . . . 0.545 ' OD1' HG23 ' A' ' 191' ' ' VAL . 96.8 m-20 -103.55 129.83 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.196 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.7 tt -127.15 154.83 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.947 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -150.13 102.58 3.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 214' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 98.5 m-20 -118.81 166.06 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.747 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 215' ' ' SER . . . . . 1.048 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 33.5 p -117.75 103.36 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 216' ' ' VAL . . . . . 1.169 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 81.3 t -91.9 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 217' ' ' GLN . . . . . 1.037 ' HA ' ' O ' ' A' ' 185' ' ' THR . 77.9 mt-30 -102.63 128.06 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 218' ' ' VAL . . . . . 1.089 HG23 ' HB2' ' A' ' 186' ' ' ALA . 79.7 t -86.04 137.52 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.624 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 43.8 m -131.02 -98.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.0 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 221' ' ' ASP . . . . . 0.482 ' O ' HG22 ' A' ' 224' ' ' THR . 65.6 t0 -86.87 -62.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.11 -24.69 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -73.94 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 221' ' ' ASP . 5.0 t -54.55 -36.97 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 225' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.52 -57.09 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.11 -30.49 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.43 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.63 -38.75 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.448 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -67.74 -53.87 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 229' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.8 mm -52.13 -27.38 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.363 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -74.86 -36.73 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 231' ' ' ILE . . . . . 0.424 HG13 HG21 ' A' ' 216' ' ' VAL . 4.4 mm -67.5 -41.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.479 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 232' ' ' ILE . . . . . 0.887 HG23 ' CZ2' ' A' ' 177' ' ' TRP . 98.6 mt -70.11 -44.49 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -56.99 -47.03 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -69.62 -43.93 71.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.87 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.43 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 237' ' ' ASN . . . . . 0.531 ' HA ' HH22 ' B' ' 544' ' ' ARG . 93.4 m-20 -60.05 -40.21 88.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.418 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.78 -34.38 73.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.44 -44.44 74.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 240' ' ' GLN . . . . . 0.447 ' CB ' ' NH2' ' B' ' 544' ' ' ARG . 50.7 tp60 -68.15 -38.95 82.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 83.8 m -61.45 -45.74 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.49 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.18 -47.51 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.69 -34.22 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -42.89 84.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.15 -34.61 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 247' ' ' TYR . . . . . 0.481 ' OH ' HD22 ' A' ' 206' ' ' LEU . 2.8 m-85 -64.92 -31.89 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.21 -50.91 19.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 249' ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' ' 253' ' ' THR . 42.8 p -64.77 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 50.3 mtt -72.9 -14.49 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 251' ' ' SER . . . . . 0.443 ' O ' ' NZ ' ' A' ' 256' ' ' LYS . 3.2 p -113.01 -10.09 13.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 93.8 m-20 -132.12 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.8 m 175.72 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 254' ' ' THR . . . . . 0.538 ' N ' HG22 ' A' ' 253' ' ' THR . 7.0 m -53.52 -61.24 2.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -47.68 -57.49 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 256' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 251' ' ' SER . 64.6 mttp -64.27 -11.74 34.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.21 30.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 259' ' ' ARG . . . . . 0.771 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 15.6 ttp180 -98.64 174.48 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 260' ' ' ARG . . . . . 0.771 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 0.0 OUTLIER -109.17 153.18 24.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.73 -11.2 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 262' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 262' ' ' LEU . 0.3 OUTLIER -163.67 133.28 3.1 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 263' ' ' PRO . . . . . 0.739 ' HG3' ' CZ ' ' B' ' 411' ' ' TYR . 34.3 Cg_exo -43.96 135.39 7.86 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.892 2.395 . . . . 0.0 112.087 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 264' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 264' ' ' VAL . 21.6 t -37.76 -38.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 265' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 265' ' ' THR . 89.2 m -64.15 -5.46 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.9 ttm180 54.17 55.57 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 267' ' ' THR . . . . . 0.627 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.25 114.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.405 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 268' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 267' ' ' THR . 24.6 mtmm -16.76 131.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.626 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 269' ' ' ILE . . . . . 0.447 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 7.5 tt -50.23 158.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 270' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 273' ' ' LYS . 10.6 t70 -117.12 58.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 271' ' ' TRP . . . . . 0.593 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.37 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 272' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 270' ' ' ASP . 44.1 t30 -44.55 -25.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 273' ' ' LYS . . . . . 1.247 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 19.0 pttt -99.93 -7.71 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.661 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 274' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' A' ' 271' ' ' TRP . 1.3 tp -103.19 -1.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 275' ' ' LEU . . . . . 0.728 ' O ' ' CB ' ' A' ' 276' ' ' SER . 77.0 mt -111.09 44.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 276' ' ' SER . . . . . 1.309 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.4 m 141.94 -38.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 277' ' ' TYR . . . . . 1.247 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.7 t80 -31.01 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 278' ' ' LYS . . . . . 1.309 ' N ' ' O ' ' A' ' 276' ' ' SER . 99.4 mttt -107.67 80.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.2 pt 54.21 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.64 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.528 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 302' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 16.1 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -42.8 -51.22 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.36 -34.12 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 305' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 302' ' ' SER . 90.6 mt-30 -60.77 -49.03 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.2 -40.67 77.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.411 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.92 -40.8 95.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 308' ' ' CYS . . . . . 0.404 ' SG ' HD22 ' A' ' 38' ' ' LEU . 94.0 m -68.14 -37.21 80.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.362 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 309' ' ' ALA . . . . . 0.709 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.16 -42.15 96.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.357 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.36 -38.35 84.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -68.31 -33.71 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.79 -43.73 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 79.1 mmm -64.37 -25.61 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 314' ' ' ARG . . . . . 0.588 ' NH2' ' OH ' ' A' ' 199' ' ' TYR . 3.9 mtp180 -82.28 -12.34 58.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.42 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 315' ' ' ARG . . . . . 0.563 HH21 ' CD ' ' A' ' 31' ' ' GLU . 27.6 mmt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.67 147.74 95.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 317' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' B' ' 318' ' ' PRO . 50.8 Cg_exo -49.63 128.38 20.93 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.808 2.338 . . . . 0.0 112.047 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 318' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' ' 317' ' ' PRO . 6.8 Cg_exo -71.43 -4.05 14.21 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.878 2.385 . . . . 0.0 112.041 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -80.61 -17.76 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -123.92 39.42 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 321' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 318' ' ' PRO . 35.6 mm -63.4 -40.79 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.74 -60.85 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.38 42.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -54.71 -55.77 26.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.439 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' B' ' 345' ' ' GLN . 42.8 tp -47.14 -48.92 23.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.5 t -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.424 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 327' ' ' ASP . . . . . 0.445 ' CG ' HD12 ' A' ' 16' ' ' ILE . 53.6 m-20 -62.39 -40.76 97.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 328' ' ' LEU . . . . . 0.709 HD21 ' HB1' ' B' ' 309' ' ' ALA . 62.4 tp -55.51 -41.08 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.47 -41.11 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -57.81 -37.96 74.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.42 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 331' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.1 mt -71.25 -29.11 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.57 84.63 9.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -68.08 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.76 2.307 . . . . 0.0 112.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.0 m -89.31 -6.5 56.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 335' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 79.1 mt -119.04 20.92 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 336' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 27.1 p -64.15 -55.83 19.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 337' ' ' GLU . . . . . 0.584 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 81.0 tt0 -60.39 -50.36 73.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.76 -36.14 73.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 339' ' ' LEU . . . . . 0.478 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.1 mt -79.09 -28.62 43.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 44.2 mt -81.49 12.4 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.8 p -144.09 -3.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.6 t -119.33 -15.49 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.87 120.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.466 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.87 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 345' ' ' GLN . . . . . 0.418 ' OE1' ' CD2' ' B' ' 325' ' ' LEU . 0.0 OUTLIER -129.35 165.92 29.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.481 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.41 125.27 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.849 2.366 . . . . 0.0 112.095 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.7 122.44 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.663 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -88.59 148.77 23.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.455 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.3 tt -102.98 136.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.74 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 350' ' ' ALA . . . . . 0.724 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.67 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.481 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -114.34 143.34 45.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.605 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 352' ' ' ASP . . . . . 0.962 ' O ' ' N ' ' B' ' 356' ' ' GLY . 40.6 t0 -111.92 81.44 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.456 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.9 mttt -37.24 -62.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 97.3 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.94 -25.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 356' ' ' GLY . . . . . 0.962 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.69 70.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 357' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' B' ' 352' ' ' ASP . 98.4 mttt -115.14 154.93 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 358' ' ' ASP . . . . . 0.724 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.0 m-20 -94.75 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 359' ' ' TYR . . . . . 0.682 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.7 p90 -139.66 135.78 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.22 156.64 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.6 mt -108.54 158.56 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.615 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 362' ' ' CYS . . . . . 0.463 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 20.2 p -168.19 168.65 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 7.7 p-10 -75.5 -10.25 59.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.4 -18.24 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 365' ' ' ASN . . . . . 0.463 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 53.3 p30 -123.16 24.73 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -119.94 129.81 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.511 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -122.18 99.48 6.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.09 -98.67 1.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.34 8.67 7.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 370' ' ' SER . . . . . 0.995 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 4.5 m -122.33 161.32 23.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 371' ' ' TYR . . . . . 1.106 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.4 OUTLIER -118.29 150.84 38.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.499 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 372' ' ' ARG . . . . . 0.458 ' NH2' ' HB3' ' B' ' 387' ' ' ALA . 17.5 mtt180 -98.78 124.73 43.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 373' ' ' SER . . . . . 0.587 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 96.1 p -79.66 133.77 58.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.91 -14.71 19.13 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.788 2.326 . . . . 0.0 112.227 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -85.89 -66.31 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 376' ' ' SER . . . . . 0.496 ' HG ' ' HG ' ' B' ' 373' ' ' SER . 80.1 p -83.05 -18.62 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.663 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 377' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 373' ' ' SER . 10.7 m-80 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -141.55 137.89 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 379' ' ' TYR . . . . . 1.106 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.76 140.4 58.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 380' ' ' ASP . . . . . 0.755 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.91 -60.48 6.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.328 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 381' ' ' PRO . . . . . 0.995 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.45 120.0 7.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.022 2.481 . . . . 0.0 112.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -41.53 79.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.96 2.44 . . . . 0.0 112.317 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 383' ' ' LEU . . . . . 0.732 HD23 ' H ' ' B' ' 384' ' ' GLU . 0.4 OUTLIER -84.51 177.52 8.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 384' ' ' GLU . . . . . 0.732 ' H ' HD23 ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -117.0 66.03 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 386' ' ' GLY . . . . . 0.832 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.2 151.71 47.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 387' ' ' ALA . . . . . 0.458 ' HB3' ' NH2' ' B' ' 372' ' ' ARG . . . -64.03 127.32 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -132.25 148.59 70.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.97 150.75 49.36 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.779 2.319 . . . . 0.0 112.172 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.4 m -52.67 142.87 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.54 -43.79 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.546 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -67.93 -37.77 82.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.84 -42.46 70.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.391 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -55.32 -36.79 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.51 -46.63 85.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.32 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.37 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -67.77 -38.01 82.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.09 -40.27 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.38 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.76 -36.95 78.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.321 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.89 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -63.97 -38.94 92.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.22 -40.32 67.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.01 78.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 404' ' ' PHE . . . . . 0.5 ' CZ ' HD13 ' B' ' 432' ' ' ILE . 17.1 m-85 -69.33 -29.22 67.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 405' ' ' ASP . . . . . 0.462 ' CG ' HH21 ' B' ' 408' ' ' ARG . 12.1 t70 -54.58 -38.91 67.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -77.01 -32.93 57.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 407' ' ' TYR . . . . . 0.511 ' O ' ' CD1' ' B' ' 411' ' ' TYR . 34.8 t80 -69.73 -18.61 63.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 408' ' ' ARG . . . . . 0.583 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.82 -35.48 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -85.16 -8.98 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.602 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 410' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 41.1 mt -95.83 -17.95 20.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 411' ' ' TYR . . . . . 0.739 ' CZ ' ' HG3' ' A' ' 263' ' ' PRO . 2.2 m-85 -118.81 -38.12 3.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 412' ' ' PHE . . . . . 0.568 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 5.5 m-85 -100.55 -25.93 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 413' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 80.3 mt-10 63.44 24.38 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.72 -154.45 25.41 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.44 -163.51 52.91 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 416' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 417' ' ' SER . 58.8 t -128.66 153.72 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 110.462 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 417' ' ' SER . . . . . 0.583 ' N ' HH12 ' B' ' 408' ' ' ARG . 36.3 t -143.6 148.52 36.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.683 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 43.9 t -148.2 143.97 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.88 130.26 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.767 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 420' ' ' TYR . . . . . 0.538 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 12.7 t80 -128.48 132.46 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.334 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.66 158.41 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.737 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -154.48 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -42.99 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.621 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 424' ' ' LEU . . . . . 0.475 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.1 tp -127.87 -147.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.563 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 425' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 426' ' ' HIS . 0.9 OUTLIER -87.33 -49.81 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 426' ' ' HIS . . . . . 0.532 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 98.9 m-70 -129.8 30.72 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.67 2.57 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.67 154.13 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -123.99 172.84 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 430' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.7 35.05 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 431' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 4.3 p -130.05 126.39 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 432' ' ' ILE . . . . . 0.574 ' O ' ' ND1' ' B' ' 452' ' ' HIS . 14.8 mt -103.35 113.59 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 433' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' B' ' 450' ' ' SER . 24.5 mt -102.81 143.11 32.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 434' ' ' ILE . . . . . 0.514 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 14.5 mt -148.64 119.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.639 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -122.56 127.54 49.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 436' ' ' LYS . . . . . 0.568 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.17 119.61 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.14 40.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.607 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.49 45.13 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -50.74 128.04 19.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.58 9.75 75.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 98.8 p -110.39 -4.24 15.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 110.58 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.18 153.89 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -56.97 -43.75 81.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.627 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 444' ' ' ILE . . . . . 1.053 ' H ' HD13 ' B' ' 444' ' ' ILE . 0.1 OUTLIER -95.13 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -105.81 154.69 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.344 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.46 24.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 31.0 m -149.49 130.6 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.214 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 448' ' ' TRP . . . . . 0.55 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.2 t-105 -114.78 116.26 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 449' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.2 m-20 -109.5 127.19 54.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 450' ' ' SER . . . . . 0.514 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 1.3 m -115.9 122.76 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 90.9 mt -127.96 100.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.217 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 452' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' B' ' 432' ' ' ILE . 2.4 m80 -108.63 132.42 53.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 453' ' ' VAL . . . . . 0.725 ' O ' HG22 ' B' ' 470' ' ' THR . 0.2 OUTLIER -128.73 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 5.8 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -131.8 102.16 5.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.328 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 456' ' ' VAL . . . . . 0.401 HG22 ' CE2' ' B' ' 467' ' ' TYR . 77.1 t -79.06 139.6 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.795 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -123.5 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 458' ' ' GLU . . . . . 0.513 ' CD ' ' N ' ' B' ' 459' ' ' LYS . 8.0 tm-20 -40.32 146.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 459' ' ' LYS . . . . . 0.592 ' CG ' ' O ' ' B' ' 464' ' ' THR . 34.0 mmtm -109.36 141.97 40.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.94 -54.17 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 36.1 p -126.71 146.56 50.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 462' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.75 48.17 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 463' ' ' ARG . . . . . 0.485 HH11 ' HG3' ' B' ' 463' ' ' ARG . 24.3 mmm-85 59.15 -0.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 464' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.23 123.59 29.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.445 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 465' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -92.93 126.6 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 467' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' B' ' 456' ' ' VAL . 84.3 m-85 -103.18 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -135.8 86.11 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.173 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.21 157.6 23.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.996 0.427 . . . . 0.0 111.09 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 470' ' ' THR . . . . . 0.74 ' O ' HG23 ' B' ' 470' ' ' THR . 14.7 t -157.89 62.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.05 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 471' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 95.2 p -64.65 174.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.127 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 472' ' ' THR . . . . . 0.515 HG23 ' OG1' ' B' ' 494' ' ' THR . 56.0 m -168.79 87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.151 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 473' ' ' VAL . . . . . 0.528 ' O ' ' OG ' ' B' ' 492' ' ' SER . 97.5 t -69.72 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 474' ' ' MET . . . . . 0.538 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.3 ttt -124.79 96.04 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.136 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 475' ' ' LEU . . . . . 0.726 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.8 OUTLIER -86.7 131.21 34.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 -179.596 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 476' ' ' TRP . . . . . 0.726 ' N ' HD23 ' B' ' 475' ' ' LEU . 0.0 OUTLIER -125.31 130.28 51.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.223 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.4 mt -137.38 124.73 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 110.725 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 478' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' B' ' 479' ' ' THR . 52.5 tt0 -138.24 158.13 44.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 479' ' ' THR . . . . . 0.607 ' HB ' HG22 ' B' ' 444' ' ' ILE . 1.9 t -163.44 127.51 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 480' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 98.8 m-20 -108.2 73.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 481' ' ' LYS . . . . . 0.874 ' O ' ' N ' ' B' ' 485' ' ' GLY . 66.4 tttm -107.61 146.6 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 62.2 p -57.26 -45.96 83.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.66 -25.24 68.74 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 484' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.2 p -125.93 14.86 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 485' ' ' GLY . . . . . 0.874 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 486' ' ' THR . . . . . 0.45 ' N ' ' O ' ' B' ' 484' ' ' SER . 18.5 p -126.06 114.0 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.479 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 487' ' ' MET . . . . . 0.406 ' HB3' ' CG2' ' B' ' 479' ' ' THR . 11.6 ttp -125.11 118.03 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -118.98 123.93 45.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.643 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 489' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 17.9 tp -131.61 76.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.47 -163.85 21.74 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 491' ' ' GLY . . . . . 0.573 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.65 11.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 492' ' ' SER . . . . . 0.573 ' HB2' ' O ' ' B' ' 491' ' ' GLY . 27.0 t 163.24 135.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.478 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 493' ' ' LEU . . . . . 1.055 HD13 ' H ' ' B' ' 494' ' ' THR . 0.2 OUTLIER -110.59 149.43 30.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 494' ' ' THR . . . . . 1.055 ' H ' HD13 ' B' ' 493' ' ' LEU . 55.5 m -127.09 142.86 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.517 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -149.95 128.75 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -92.87 160.58 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 3.1 tpp -160.02 130.46 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 498' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 498' ' ' GLU . 4.0 mp0 -133.49 141.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -172.26 145.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 500' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.4 p-10 -91.23 125.21 35.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 501' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.7 tt0 -120.67 160.19 23.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 76.1 p -94.24 131.8 39.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.6 122.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.94 -35.89 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.2 p -83.6 -19.89 34.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.6 t -135.43 73.4 63.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.614 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.58 -172.54 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.742 2.295 . . . . 0.0 112.176 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -58.79 -62.73 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.474 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 510' ' ' ILE . . . . . 0.421 ' H ' HG13 ' B' ' 510' ' ' ILE . 67.4 mt -42.69 -49.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.29 71.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 512' ' ' ASN . . . . . 0.432 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 46.6 m-20 -62.96 -48.1 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 513' ' ' ILE . . . . . 0.55 ' O ' HG23 ' B' ' 517' ' ' VAL . 67.6 mt -61.07 -33.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 514' ' ' GLY . . . . . 0.505 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.77 -46.53 74.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -57.35 -44.36 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.15 -52.51 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.598 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 517' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 513' ' ' ILE . 94.3 t -55.48 -47.24 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 518' ' ' GLU . . . . . 0.521 ' OE2' ' ND2' ' B' ' 522' ' ' ASN . 5.0 tm-20 -57.89 -51.66 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.81 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 519' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.4 t0 -63.55 -37.5 87.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.733 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.39 -49.37 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.759 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.62 -45.23 93.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 522' ' ' ASN . . . . . 0.521 ' ND2' ' OE2' ' B' ' 518' ' ' GLU . 52.1 m-20 -56.96 -41.43 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -70.61 -38.46 73.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.35 -24.41 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 525' ' ' ARG . . . . . 0.656 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.73 -27.64 66.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.661 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 526' ' ' SER . . . . . 0.538 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 69.2 p -85.04 -38.74 18.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.3 m -66.04 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.649 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 528' ' ' LEU . . . . . 0.682 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 66.1 mt -64.95 -42.38 94.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.692 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -68.5 -31.33 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 530' ' ' GLU . . . . . 0.961 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.4 mt-10 -74.32 -54.44 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.47 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 532' ' ' TYR . . . . . 0.682 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 18.0 m-85 -50.23 -86.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 533' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.59 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 534' ' ' GLY . . . . . 0.961 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.14 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 64.8 mttp -56.94 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 536' ' ' THR . . . . . 0.631 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.6 p -34.78 -58.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.31 -53.29 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.19 -44.94 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 539' ' ' ILE . . . . . 0.626 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 36.6 mm -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.46 -41.95 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -69.76 -17.14 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.49 -27.37 47.98 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 543' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.9 mt -68.11 -51.41 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 544' ' ' ARG . . . . . 0.689 ' HG2' ' H ' ' B' ' 545' ' ' SER . 9.1 ttp180 -141.81 170.09 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 545' ' ' SER . . . . . 0.689 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.4 t -142.22 137.82 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -43.5 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.83 138.62 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 548' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.49 122.11 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.536 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 549' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' B' ' 551' ' ' ASP . 77.8 mt -79.52 112.72 31.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 550' ' ' PRO . . . . . 0.569 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.4 Cg_exo -46.54 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.862 2.375 . . . . 0.0 112.121 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 551' ' ' ASP . . . . . 0.569 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.6 p-10 -25.24 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 552' ' ' ASN . . . . . 0.546 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 45.3 p-10 -129.88 116.11 18.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.57 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 553' ' ' GLN . . . . . 0.644 ' CD ' ' H ' ' B' ' 553' ' ' GLN . 1.4 pm0 -85.21 -24.8 27.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 554' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' B' ' 558' ' ' LEU . 50.5 mtmt -52.55 -64.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 555' ' ' TYR . . . . . 0.546 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.1 m-85 -45.19 -56.71 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -57.53 -46.92 83.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -65.83 -29.71 70.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.805 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 558' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 554' ' ' LYS . 60.9 tp -77.74 -30.36 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.54 -36.4 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -58.22 -40.54 81.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 561' ' ' GLU . . . . . 0.534 ' O ' HG23 ' B' ' 565' ' ' VAL . 80.1 mm-40 -67.81 -61.82 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.648 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 562' ' ' LEU . . . . . 0.889 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 1.1 tt -49.02 -40.77 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.649 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.4 m -61.19 -76.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.683 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -36.64 -13.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.688 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 565' ' ' VAL . . . . . 0.889 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 15.5 t -72.09 -42.74 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 566' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 563' ' ' SER . 76.4 mt -81.4 -35.62 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.0 p -70.28 -19.54 63.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -117.59 6.69 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.1 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 570' ' ' GLN . . . . . 0.798 ' O ' HG22 ' B' ' 571' ' ' ILE . 40.3 tt0 139.8 128.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 571' ' ' ILE . . . . . 0.798 HG22 ' O ' ' B' ' 570' ' ' GLN . 14.0 tt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 601' ' ' MET . . . . . 0.498 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.18 5.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -49.77 -37.85 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -69.68 -52.18 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -55.11 -28.92 56.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.68 -53.68 8.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 607' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 2.7 ptt? -72.75 -36.82 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 608' ' ' TRP . . . . . 0.417 ' N ' ' CG ' ' C' ' 607' ' ' MET . 76.1 t-105 -56.79 -15.99 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 609' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.45 -50.68 13.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 610' ' ' LEU . . . . . 0.668 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.5 mp -66.28 2.06 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 611' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.5 tttm -102.09 -66.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -70.38 -4.26 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 613' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.05 21.81 58.47 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 7.2 m-20 -63.86 49.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 615' ' ' LEU . . . . . 0.977 ' O ' HD13 ' C' ' 615' ' ' LEU . 3.0 tm? -44.97 -17.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.77 -27.53 50.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 617' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' C' ' 614' ' ' ASP . 55.3 tp10 -81.49 -49.86 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.598 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 618' ' ' VAL . . . . . 0.688 HG11 HD11 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -62.84 -28.37 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.563 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 619' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.2 tttp -66.26 -21.86 66.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 620' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.1 t0 -75.32 -45.42 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.96 -59.14 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 11.1 m -57.74 -27.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 623' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.68 -16.81 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 625' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.92 82.39 0.1 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 626' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.1 pt-20 34.27 95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 627' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 48.3 p-10 -140.98 62.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.602 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 628' ' ' VAL . . . . . 0.644 HG11 ' O ' ' C' ' 654' ' ' LEU . 35.5 t -121.98 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -173.02 5.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 630' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' C' ' 631' ' ' THR . 5.8 tpt180 -79.01 166.87 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.1 87.68 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.6 tp -31.29 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 633' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' C' ' 634' ' ' GLY . 12.0 tm-20 -71.69 -76.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 634' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' C' ' 633' ' ' GLU . . . -153.7 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 635' ' ' GLY . . . . . 0.497 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.43 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -127.97 164.88 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.505 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 637' ' ' LYS . . . . . 0.58 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 638' ' ' PRO . . . . . 0.478 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.4 Cg_endo -73.66 25.0 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.871 2.381 . . . . 0.0 112.083 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 639' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.3 mp -117.7 -16.29 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 640' ' ' HIS . . . . . 0.584 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 63.0 t-80 -75.24 -43.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.73 -35.95 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -45.0 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.609 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 644' ' ' ASP . . . . . 0.584 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 33.3 m-20 -60.59 -35.68 76.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 645' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 20.1 m -160.89 65.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.1 4.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 647' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 42.9 tt0 51.74 4.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.569 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 648' ' ' LEU . . . . . 0.896 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.58 7.06 5.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -115.78 -12.64 11.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 650' ' ' ILE . . . . . 0.628 ' O ' HD12 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -87.53 -36.15 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 651' ' ' LEU . . . . . 1.055 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.29 -52.92 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.615 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 652' ' ' GLU . . . . . 0.835 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 82.6 tt0 -56.2 -22.57 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.1 m-85 -75.85 -97.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 654' ' ' LEU . . . . . 0.813 HD12 ' H ' ' C' ' 654' ' ' LEU . 1.9 mp -41.32 6.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.0 tt -102.93 -47.85 4.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 656' ' ' LEU . . . . . 0.626 ' O ' HD23 ' C' ' 656' ' ' LEU . 0.9 OUTLIER -59.26 -25.38 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.536 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -90.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.518 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 658' ' ' GLY . . . . . 0.6 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.35 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 659' ' ' ALA . . . . . 0.703 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.08 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 660' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' C' ' 662' ' ' ASN . 87.6 m-20 -57.42 10.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 661' ' ' ILE . . . . . 0.703 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.9 tp -66.09 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 662' ' ' ASN . . . . . 1.106 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.1 p30 -163.7 -18.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 663' ' ' ALA . . . . . 0.775 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.1 -33.68 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 664' ' ' PRO . . . . . 1.106 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 84.6 Cg_exo -46.94 120.79 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.882 2.388 . . . . 0.0 112.123 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 665' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.5 p-10 -125.9 -50.44 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 666' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 69.0 mttm -78.79 -16.16 57.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 667' ' ' HIS . . . . . 0.505 ' O ' HG22 ' C' ' 669' ' ' ILE . 35.5 m80 -80.44 -6.31 57.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 40.53 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.644 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 669' ' ' ILE . . . . . 0.505 HG22 ' O ' ' C' ' 667' ' ' HIS . 17.1 tt -176.89 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 670' ' ' THR . . . . . 0.414 HG23 ' H ' ' C' ' 670' ' ' THR . 0.2 OUTLIER -96.23 168.7 10.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 671' ' ' PRO . . . . . 0.452 ' O ' ' OG ' ' C' ' 674' ' ' SER . 55.0 Cg_endo -72.46 -30.53 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.85 2.367 . . . . 0.0 112.118 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 1.1 tp -45.35 -49.06 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 673' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.83 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 674' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 20.5 p -51.78 -40.89 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 675' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.55 -30.02 61.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 676' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 7.9 t -47.13 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 677' ' ' TYR . . . . . 0.42 ' N ' HG12 ' C' ' 676' ' ' VAL . 0.7 OUTLIER -77.84 39.34 0.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 678' ' ' GLU . . . . . 0.64 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 37.6 mm-40 -124.5 -28.68 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.24 -11.29 72.48 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 680' ' ' HIS . . . . . 0.899 ' O ' ' N ' ' C' ' 682' ' ' SER . 48.3 m80 -71.99 -53.48 12.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 681' ' ' VAL . . . . . 0.522 HG12 HD11 ' C' ' 713' ' ' ILE . 1.2 m 43.24 -4.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 682' ' ' SER . . . . . 0.899 ' N ' ' O ' ' C' ' 680' ' ' HIS . 0.3 OUTLIER -67.45 -24.26 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.95 -48.73 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 684' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' C' ' 687' ' ' LEU . 59.0 t -41.86 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 685' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' C' ' 687' ' ' LEU . 88.8 tttt -62.59 -73.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.99 1.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 687' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' C' ' 685' ' ' LYS . 3.4 mt -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 1.1 mp -45.64 -21.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.5 m -55.76 -21.54 19.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -99.61 -6.27 27.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 691' ' ' GLY . . . . . 1.078 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.93 0.42 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 692' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.26 18.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.315 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 693' ' ' ASP . . . . . 1.078 ' N ' ' O ' ' C' ' 691' ' ' GLY . 9.7 p-10 33.09 -128.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 694' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' C' ' 693' ' ' ASP . 26.1 pttm -152.5 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.552 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 695' ' ' THR . . . . . 0.525 ' N ' ' OD2' ' C' ' 693' ' ' ASP . 3.7 m -156.58 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 696' ' ' VAL . . . . . 0.754 HG13 ' CG ' ' C' ' 693' ' ' ASP . 0.0 OUTLIER -93.52 -29.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -140.21 23.57 2.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.78 20.33 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 699' ' ' PRO . . . . . 0.65 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 78.1 Cg_exo -44.73 -27.76 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 700' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.0 t70 157.66 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 701' ' ' GLY . . . . . 0.573 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.81 0.38 89.15 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 702' ' ' LEU . . . . . 0.644 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.4 tt -53.83 -66.67 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.632 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 703' ' ' THR . . . . . 0.867 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 11.8 p 16.19 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 704' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.61 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 705' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.5 tp -62.82 -75.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.75 15.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 707' ' ' ALA . . . . . 0.867 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.45 -70.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 29.4 p -139.78 -142.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -148.79 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -72.59 151.86 42.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -71.53 -20.53 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.14 -60.44 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 713' ' ' ILE . . . . . 0.547 HG23 HG22 ' C' ' 676' ' ' VAL . 35.5 mm -69.99 -37.65 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.05 -29.96 23.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 716' ' ' LEU . . . . . 1.063 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.06 98.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 717' ' ' LEU . . . . . 1.063 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.3 mm? 124.1 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 718' ' ' GLN . . . . . 0.516 ' OXT' ' NE2' ' C' ' 718' ' ' GLN . 37.3 tp60 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.621 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.1 m -54.15 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 m -45.94 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 45.2 p-10 -64.93 -33.58 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 81.8 tt0 -60.48 -39.3 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.541 ' O ' HG12 ' A' ' 16' ' ' ILE . 95.9 mt-10 -67.56 -40.99 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -63.73 -35.87 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 10' ' ' ASP . 61.0 t -65.3 -43.7 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.409 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.6 mtm180 -61.59 -39.71 92.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 12' ' ' GLU . 50.8 mm -65.46 -47.36 87.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.497 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.97 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.68 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 31.4 ttpt -65.86 -41.33 91.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.2 -44.84 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -46.49 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -75.96 8.44 3.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.71 15.3 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.48 146.98 81.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.476 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 13.2 Cg_exo -68.21 167.52 21.8 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.815 2.343 . . . . 0.0 112.025 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -70.93 116.18 4.57 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.733 2.288 . . . . 0.0 112.16 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.52 35.28 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' B' ' 315' ' ' ARG . 94.8 mt-10 -149.29 37.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -73.83 -48.87 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -57.03 -57.4 12.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -44.52 -54.44 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 36' ' ' VAL . 53.2 t -60.76 -42.51 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.626 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.21 -50.91 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.02 -37.93 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.08 -42.06 97.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 32' ' ' VAL . 92.8 t -67.07 -41.82 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.599 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -56.39 -54.76 41.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD1' ' SG ' ' B' ' 308' ' ' CYS . 64.2 mt -59.31 -34.82 72.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.2 -49.74 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.43 HD12 HD22 ' B' ' 331' ' ' LEU . 13.6 tp -61.73 -32.62 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.53 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.1 t30 46.64 49.69 13.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 59.8 m-20 -168.65 79.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.85 -37.97 54.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -54.13 -44.2 71.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.0 mp -77.3 -30.83 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.695 ' O ' HD23 ' A' ' 46' ' ' LEU . 1.3 tt -62.81 -38.6 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.23 -35.54 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -40.97 -59.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.9 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.14 -56.76 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.835 0.35 . . . . 0.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.53 87.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -54.35 -36.94 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.44 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.59 -56.53 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.568 ' O ' ' SD ' ' A' ' 59' ' ' MET . . . -52.72 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.562 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 92.5 mm-40 -33.65 -45.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.11 -72.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.96 -30.93 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.629 ' SD ' ' N ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -68.87 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.83 10.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.822 HE22 HH22 ' A' ' 174' ' ' ARG . 59.5 mm-40 -124.58 24.8 7.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.59 ' C ' ' O ' ' A' ' 61' ' ' GLN . 79.5 m-85 23.87 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 31.4 m -58.82 111.36 3.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.8 Cg_exo -75.71 115.23 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.884 2.39 . . . . 0.0 112.211 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.647 HG22 ' N ' ' A' ' 66' ' ' LYS . 7.1 p -109.4 165.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.647 ' N ' HG22 ' A' ' 65' ' ' VAL . 64.9 mttp -125.16 103.97 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.0 mp -51.57 148.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.9 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.519 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.44 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.801 ' O ' ' N ' ' A' ' 72' ' ' ASP . 65.4 m-85 -137.43 14.73 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.618 ' C ' ' O ' ' A' ' 70' ' ' TYR . 34.6 p30 20.23 39.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 1.058 ' O ' ' N ' ' A' ' 74' ' ' VAL . 40.7 t0 -98.73 19.44 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.2 mp0 -0.26 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.058 ' N ' ' O ' ' A' ' 72' ' ' ASP . 11.4 p -63.87 173.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 74' ' ' VAL . 9.9 mp -113.39 152.34 30.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 87' ' ' PHE . 81.5 mt -104.08 105.45 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.764 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 3.0 p -130.11 -176.95 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -31.32 46.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.471 ' CD2' HG21 ' A' ' 155' ' ' ILE . 73.6 m-70 -63.97 -23.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.66 50.56 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.416 ' HA ' ' CD1' ' A' ' 87' ' ' PHE . 67.4 t0 -85.49 100.02 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -49.68 -51.48 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.7 25.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -116.14 1.31 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' CE1' ' A' ' 98' ' ' PHE . . . 121.13 -15.75 9.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -108.37 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.764 ' CE2' ' O ' ' A' ' 77' ' ' THR . 1.4 m-85 -114.48 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 tp -118.3 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.701 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 9.9 t70 -139.33 89.02 12.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.358 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -61.05 -36.67 81.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.826 2.351 . . . . 0.0 112.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HE ' ' NH2' ' A' ' 129' ' ' ARG . 0.5 OUTLIER -59.46 -75.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -76.54 -20.27 57.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 49.1 mttt 62.71 62.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.553 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 6.1 mt -146.45 154.44 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.827 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.8 t -92.72 133.04 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 49.6 p90 -140.11 136.68 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 66.0 tttm -88.7 113.45 24.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.868 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 45.1 p90 -82.7 133.03 35.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.529 ' O ' ' O ' ' A' ' 102' ' ' ARG . 27.0 t0 -104.51 90.11 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.39 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.6 tp -47.49 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 99' ' ' ASP . 99.1 mtt180 -52.84 156.29 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.534 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -88.87 2.36 53.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -117.28 150.25 39.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.575 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.868 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 64.5 m -95.55 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t70 73.79 54.42 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.827 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.47 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.813 2.342 . . . . 0.0 112.065 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.808 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.9 OUTLIER -160.12 124.55 2.1 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.21 131.0 17.57 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.82 2.347 . . . . 0.0 112.028 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -122.84 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.4 p-10 -75.5 88.43 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.45 ' OG1' ' CE ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -46.89 164.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -76.13 -30.0 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.84 35.67 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.79 -59.92 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.14 3.37 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.527 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.45 ' CE ' ' OG1' ' A' ' 113' ' ' THR . 5.3 mptt -54.04 -41.88 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -39.17 -56.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -62.49 -47.6 83.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.556 ' O ' ' C ' ' A' ' 122' ' ' ASP . 8.4 tmm_? -53.91 -80.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.6 t0 -25.42 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.536 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.7 t -51.12 -48.56 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.445 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 63.6 t0 -40.36 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 80.1 p -48.01 -46.15 32.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.478 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.49 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.79 -12.18 60.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.531 ' NH2' ' HE ' ' A' ' 91' ' ' ARG . 38.6 ttm180 -66.44 -32.74 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.646 ' HA ' ' HG2' ' A' ' 133' ' ' LYS . . . -81.67 -39.28 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.453 ' HB2' ' CG2' ' A' ' 229' ' ' ILE . 57.0 t80 -54.73 -38.81 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 134' ' ' ASP . 6.6 p -74.77 -40.52 46.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.496 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.646 ' HG2' ' HA ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -76.08 25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 72.0 m-20 -147.52 7.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 92.7 m-70 -151.02 -21.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.544 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 6.2 m-85 -114.66 106.48 52.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.62 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.769 2.313 . . . . 0.0 112.033 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.566 ' HB2' HD11 ' A' ' 75' ' ' LEU . 96.3 m-85 -135.03 158.18 45.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.575 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.8 p -129.53 162.34 28.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 51.6 m -161.44 97.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.4 t -75.71 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.596 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 46.7 m-85 -120.23 124.35 45.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.72 84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.425 ' C ' ' CD1' ' A' ' 117' ' ' LEU . 43.2 pttt -123.79 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.543 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.6 t -107.61 115.4 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 148' ' ' ILE . 1.2 tp -91.14 104.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 46.65 54.18 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.17 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -53.79 129.78 34.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.717 ' HB2' HG13 ' A' ' 181' ' ' ILE . 4.2 mt-30 -85.76 150.48 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.375 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.721 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.4 t -155.24 146.16 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.716 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.52 110.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 81.5 mt -98.06 117.08 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 115.98 27.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.276 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 32.2 m -106.11 135.43 47.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.244 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.59 ' OE2' ' O ' ' A' ' 173' ' ' TRP . 10.1 tp10 -131.3 151.9 51.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 0.0 111.017 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.732 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.93 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.247 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' HIS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 26.4 p80 -140.62 170.63 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.944 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -148.67 77.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -65.43 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.976 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.651 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 5.7 tp-100 -167.98 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.686 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.0 Cg_exo -60.7 -52.07 4.19 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.817 2.344 . . . . 0.0 112.137 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -43.93 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 165' ' ' PRO . 13.1 m120 -121.94 -10.42 8.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.815 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.06 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.815 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.4 p-90 158.74 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.702 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.09 29.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.568 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 42.8 ttm180 -165.69 136.64 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.337 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' TRP . . . . . 0.732 ' N ' ' O ' ' A' ' 160' ' ' SER . 10.9 t-105 -107.55 138.96 42.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.822 HH22 HE22 ' A' ' 61' ' ' GLN . 94.8 mtt180 -125.39 152.25 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.225 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.455 ' HG ' ' HE1' ' A' ' 173' ' ' TRP . 0.7 OUTLIER -166.3 111.11 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 111.037 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 78.7 tt0 -116.44 124.65 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.106 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.616 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 47.5 m95 -120.56 116.91 26.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -98.6 119.83 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.721 ' O ' ' HA ' ' A' ' 153' ' ' THR . 1.8 t80 -117.49 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.681 ' O ' ' O ' ' A' ' 179' ' ' PHE . 3.0 m -50.04 -131.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ILE . . . . . 0.844 ' O ' HG23 ' A' ' 182' ' ' THR . 0.3 OUTLIER -164.26 151.38 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.932 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 1.037 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 85.0 Cg_exo -34.32 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.463 2.776 . . . . 0.0 112.696 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' PRO . . . . . 0.932 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.4 Cg_endo -79.84 -4.35 13.34 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.828 2.352 . . . . 0.0 112.118 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' THR . . . . . 1.029 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.35 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.172 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.85 131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.918 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 1.044 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 77.7 mt-30 -106.78 -115.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.243 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.767 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.4 t 145.68 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.674 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.87 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.376 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.6 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.7 p -165.74 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.549 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' LEU . . . . . 0.915 ' N ' HD22 ' A' ' 192' ' ' LEU . 2.1 mm? -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' LYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 12.4 mttp -150.37 147.78 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.759 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ILE . . . . . 0.516 ' CG2' ' HB3' ' A' ' 208' ' ' SER . 1.9 tp -149.41 134.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.252 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -142.35 130.32 21.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.947 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 46.8 t -132.67 136.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.131 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' HIS . . . . . 0.768 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 7.9 t60 -126.51 141.64 51.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.3 t80 -145.61 87.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.584 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.09 87.77 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' GLU . . . . . 0.792 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.6 tt0 -129.49 52.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.287 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ASP . . . . . 0.792 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 86.4 m-20 114.85 2.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.64 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' B' ' 314' ' ' ARG . 15.6 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.649 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.05 129.18 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.543 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' GLN . . . . . 0.701 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 33.2 mt-30 -136.75 154.13 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.7 tt -122.28 87.24 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 88.2 t -90.05 122.22 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.374 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.847 ' OG ' ' HA ' ' B' ' 487' ' ' MET . 0.1 OUTLIER -149.57 147.21 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.819 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 24.4 p-80 -157.83 145.11 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 55.1 tttp -135.5 129.12 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.2 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.229 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.14 154.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 213' ' ' GLN . 1.1 pm0 -150.22 102.56 3.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' ASP . . . . . 0.606 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 96.5 m-20 -118.82 166.08 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 215' ' ' SER . . . . . 1.044 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 28.7 p -117.79 103.43 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 216' ' ' VAL . . . . . 1.172 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 78.7 t -91.96 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 217' ' ' GLN . . . . . 1.029 ' HA ' ' O ' ' A' ' 185' ' ' THR . 76.7 mt-30 -102.65 128.05 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.568 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 1.072 HG23 ' HB2' ' A' ' 186' ' ' ALA . 70.6 t -85.97 137.48 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.664 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.9 t -131.02 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 1.9 t -100.29 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' ASP . . . . . 0.467 ' O ' HG22 ' A' ' 224' ' ' THR . 66.8 t0 -86.82 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.03 -24.81 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -73.92 -56.74 4.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.573 ' OG1' ' CZ ' ' A' ' 228' ' ' PHE . 14.8 t -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 225' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.56 -57.12 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.1 -30.53 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 231' ' ' ILE . 70.8 tt0 -67.62 -38.72 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.43 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.573 ' CZ ' ' OG1' ' A' ' 224' ' ' THR . 22.5 m-85 -67.77 -53.91 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.389 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 229' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.9 mm -52.17 -27.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.395 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.8 -36.77 62.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ILE . . . . . 0.46 HD13 ' O ' ' A' ' 227' ' ' GLU . 1.3 mp -67.49 -41.19 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 177' ' ' TRP . 49.5 mt -70.15 -44.41 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.14 -47.0 82.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -69.58 -43.93 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.471 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.91 61.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.15 -44.17 95.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 237' ' ' ASN . . . . . 0.517 ' HA ' HH12 ' B' ' 544' ' ' ARG . 22.3 t30 -60.03 -40.19 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.8 -34.34 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' TYR . . . . . 0.522 ' CE2' HD11 ' A' ' 243' ' ' ILE . 49.1 t80 -68.48 -44.38 74.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -68.17 -39.02 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 84.2 m -61.41 -45.79 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.68 71.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 243' ' ' ILE . . . . . 0.522 HD11 ' CE2' ' A' ' 239' ' ' TYR . 53.6 mt -69.16 -47.48 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.73 -34.18 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' GLU . . . . . 0.482 ' OE2' ' CE1' ' C' ' 677' ' ' TYR . 85.0 tt0 -66.89 -42.95 84.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.15 -34.57 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 247' ' ' TYR . . . . . 0.506 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.95 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -73.25 -50.85 20.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' THR . . . . . 0.554 ' O ' ' HB ' ' A' ' 253' ' ' THR . 15.3 m -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 33.9 mtt -72.94 -14.45 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.5 p -113.01 -10.08 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 66.4 t0 -132.12 47.75 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.563 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.1 m 175.69 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 254' ' ' THR . . . . . 0.554 ' N ' HG22 ' A' ' 253' ' ' THR . 9.0 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 255' ' ' PHE . . . . . 0.561 ' CE2' ' CZ ' ' B' ' 525' ' ' ARG . 48.0 t80 -47.62 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 256' ' ' LYS . . . . . 0.407 ' HA ' HH22 ' B' ' 525' ' ' ARG . 68.0 mttm -64.18 -11.82 34.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.23 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 259' ' ' ARG . . . . . 0.742 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.4 ttt180 -98.59 174.51 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.47 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 260' ' ' ARG . . . . . 0.742 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 31.8 mtp180 -109.24 153.18 24.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 261' ' ' GLN . . . . . 0.663 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 97.8 mt-30 -83.67 -11.27 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 5.7 mt -163.62 133.29 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 263' ' ' PRO . . . . . 0.719 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 78.8 Cg_exo -43.91 135.43 7.71 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.927 2.418 . . . . 0.0 112.063 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 264' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 265' ' ' THR . 3.7 m -37.85 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 265' ' ' THR . . . . . 0.479 ' O ' HG22 ' A' ' 267' ' ' THR . 72.1 p -64.24 -5.36 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 38.0 ttm180 54.16 55.54 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.8 t 173.28 114.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 64.1 mttp -16.87 131.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 269' ' ' ILE . . . . . 0.513 HD11 HG12 ' A' ' 274' ' ' ILE . 10.9 tt -50.32 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 96.8 m-20 -117.11 58.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 271' ' ' TRP . . . . . 0.604 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.6 m95 -21.41 -55.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 272' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 270' ' ' ASP . 24.3 t-20 -44.58 -25.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 273' ' ' LYS . . . . . 1.236 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 70.0 mmtt -99.96 -7.69 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.586 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 274' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 274' ' ' ILE . 1.7 mp -103.21 -1.17 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 73.4 mt -111.14 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 276' ' ' SER . . . . . 1.295 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.9 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 1.236 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.8 t80 -31.07 43.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.621 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 278' ' ' LYS . . . . . 1.295 ' N ' ' O ' ' A' ' 276' ' ' SER . 27.8 mmtp -107.64 80.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.592 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.6 mp 54.21 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.66 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.547 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 302' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 22.7 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -42.73 -51.27 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.31 -34.15 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.7 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.478 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.19 -40.65 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.82 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 308' ' ' CYS . . . . . 0.42 ' SG ' ' CD1' ' A' ' 38' ' ' LEU . 84.4 m -68.09 -37.2 80.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.355 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.16 -42.12 96.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.35 -38.41 84.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -68.28 -33.65 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.379 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.84 -43.71 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.361 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 95.4 mmm -64.37 -25.67 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 314' ' ' ARG . . . . . 0.525 ' O ' ' ND2' ' A' ' 203' ' ' ASN . 5.3 mpt_? -82.23 -12.37 58.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 315' ' ' ARG . . . . . 0.651 HH11 ' HG2' ' B' ' 315' ' ' ARG . 0.0 OUTLIER -100.08 -46.91 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 147.73 95.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.59 128.41 20.86 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.818 2.345 . . . . 0.0 112.029 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 318' ' ' PRO . . . . . 0.438 ' HA ' HG13 ' B' ' 321' ' ' ILE . 41.8 Cg_endo -71.5 -4.02 14.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.846 2.364 . . . . 0.0 112.047 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -80.58 -17.82 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.92 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 321' ' ' ILE . . . . . 0.438 HG13 ' HA ' ' B' ' 318' ' ' PRO . 85.2 mt -63.39 -40.9 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -59.73 -60.8 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -54.65 -54.36 42.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.515 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.67 -55.81 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.45 HD12 HG11 ' B' ' 343' ' ' VAL . 3.9 tt -47.14 -48.93 23.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.436 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.6 t -57.04 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.3 -40.76 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.508 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 60.0 tp -55.51 -41.01 72.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.48 -41.17 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.397 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -57.82 -37.99 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.397 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 331' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 331' ' ' LEU . 16.7 mt -71.23 -29.06 64.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.467 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.1 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.709 2.273 . . . . 0.0 112.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.29 -6.51 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.6 mt -119.0 20.87 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.11 -55.89 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.26 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -58.73 -36.12 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 339' ' ' LEU . . . . . 0.481 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.8 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 340' ' ' LEU . . . . . 0.642 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 45.4 mt -81.5 12.39 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.0 p -144.06 -3.78 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.5 m -119.32 -15.5 9.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' VAL . . . . . 0.45 HG11 HD12 ' B' ' 325' ' ' LEU . 96.7 t -105.86 120.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -87.87 128.61 35.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.26 165.95 28.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.43 125.25 5.84 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.873 2.382 . . . . 0.0 112.104 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 347' ' ' LEU . . . . . 0.471 HD21 HD11 ' B' ' 451' ' ' ILE . 93.4 mt -66.72 122.51 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.663 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 348' ' ' LYS . . . . . 0.506 ' O ' HD12 ' B' ' 361' ' ' LEU . 14.1 mptt -88.65 148.83 23.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.397 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.8 tt -102.96 136.39 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.744 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' ALA . . . . . 0.719 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.63 157.66 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -114.31 143.31 45.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 63.8 t0 -111.91 81.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.415 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.6 mttt -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.49 -52.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 6.4 t -92.97 -25.42 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.15 24.68 70.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 352' ' ' ASP . 41.4 mmtm -115.1 154.86 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.6 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 358' ' ' ASP . . . . . 0.719 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.1 m-20 -94.77 143.09 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.692 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 44.4 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.19 156.64 38.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.677 ' N ' HD12 ' B' ' 361' ' ' LEU . 4.8 mp -108.53 158.58 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 362' ' ' CYS . . . . . 0.641 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 25.3 p -168.26 168.65 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 363' ' ' ASP . . . . . 0.642 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.49 -10.3 59.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 364' ' ' TYR . . . . . 0.463 ' HB2' HG11 ' B' ' 431' ' ' VAL . 98.1 m-85 -88.34 -18.22 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 365' ' ' ASN . . . . . 0.641 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 41.9 p-10 -123.23 24.75 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 366' ' ' ARG . . . . . 0.445 ' CZ ' ' OH ' ' B' ' 371' ' ' TYR . 58.5 ttt180 -119.96 129.85 54.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -122.19 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.05 -98.74 1.74 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.33 8.77 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 370' ' ' SER . . . . . 1.009 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 3.6 m -122.4 161.35 23.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 371' ' ' TYR . . . . . 1.104 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.4 m-85 -118.29 150.75 38.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.573 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 372' ' ' ARG . . . . . 0.764 ' NH1' ' O ' ' B' ' 387' ' ' ALA . 2.1 ttm-85 -98.72 124.74 43.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.645 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 373' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 78.8 p -79.62 133.76 58.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.778 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.89 -14.77 19.15 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.869 2.379 . . . . 0.0 112.21 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -85.87 -66.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.1 p -83.17 -18.6 38.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 377' ' ' ASN . . . . . 0.593 ' HA ' ' O ' ' B' ' 373' ' ' SER . 6.4 t-20 70.3 40.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -141.53 137.84 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 379' ' ' TYR . . . . . 1.104 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.69 140.43 58.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 380' ' ' ASP . . . . . 0.755 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.98 -60.41 6.19 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.387 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 1.009 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 31.4 Cg_exo -65.42 120.0 7.13 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.962 2.442 . . . . 0.0 112.323 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -41.5 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.014 2.476 . . . . 0.0 112.276 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.56 177.59 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.516 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -111.66 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -117.0 66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.535 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 386' ' ' GLY . . . . . 0.817 ' HA3' ' CZ ' ' B' ' 379' ' ' TYR . . . -72.23 151.72 47.34 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 387' ' ' ALA . . . . . 0.764 ' O ' ' NH1' ' B' ' 372' ' ' ARG . . . -63.96 127.23 30.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -132.29 148.52 70.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.92 150.77 49.73 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.765 2.31 . . . . 0.0 112.152 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.75 142.92 17.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.83 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -67.79 -37.9 82.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.84 -42.44 70.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -55.33 -36.77 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -63.55 -46.56 85.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.353 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.39 -31.96 73.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 401' ' ' ASN . 81.1 tt0 -67.86 -38.05 82.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.05 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.7 -37.05 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.311 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.95 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 401' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 57.4 m-80 -63.94 -39.01 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.363 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.12 -40.42 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.384 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.375 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.3 -29.2 67.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.66 -38.82 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -77.02 -32.98 57.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 407' ' ' TYR . . . . . 0.537 ' OH ' ' NH2' ' A' ' 259' ' ' ARG . 24.6 t80 -69.76 -18.56 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 408' ' ' ARG . . . . . 0.586 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.7 ttp180 -83.89 -35.44 24.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.532 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -85.24 -8.99 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 410' ' ' LEU . . . . . 0.676 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 51.5 mt -95.77 -17.93 20.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 411' ' ' TYR . . . . . 0.719 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.87 -38.04 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 3.0 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 413' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 95.0 mt-10 63.54 24.33 13.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.7 -154.5 25.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 415' ' ' GLY . . . . . 0.586 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.44 -163.49 52.9 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.53 ' HA ' HH11 ' B' ' 408' ' ' ARG . 16.7 t -128.69 153.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 33.7 p -143.6 148.5 35.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 9.4 p -148.17 143.98 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 66.4 t -132.83 130.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.719 ' C ' HD12 ' B' ' 421' ' ' LEU . 63.7 m-85 -128.44 132.5 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.719 HD12 ' C ' ' B' ' 420' ' ' TYR . 11.2 mp -119.69 158.44 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -154.51 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -43.04 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.677 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 424' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.3 mt -127.89 -147.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 425' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 425' ' ' ASP . 26.1 p-10 -87.29 -49.85 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 426' ' ' HIS . . . . . 0.428 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 80.4 m80 -129.79 30.79 4.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.64 -135.72 2.58 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.68 154.08 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 429' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' B' ' 424' ' ' LEU . . . -124.01 172.84 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.69 35.03 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 431' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.07 126.35 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 110.558 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.32 113.69 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 450' ' ' SER . 50.6 mt -102.9 143.22 32.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 434' ' ' ILE . . . . . 0.461 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.74 119.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -122.64 127.49 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 436' ' ' LYS . . . . . 0.561 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.09 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.93 138.13 40.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 439' ' ' ASP . . . . . 0.654 ' CG ' ' HZ1' ' C' ' 611' ' ' LYS . 94.5 m-20 -50.67 128.06 19.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.524 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.73 76.1 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.7 p -110.33 -4.25 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.657 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' C' ' 677' ' ' TYR . 41.7 tptt -89.2 153.86 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 443' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' B' ' 442' ' ' LYS . 53.7 mtmt -56.88 -43.82 81.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 444' ' ' ILE . . . . . 0.46 ' H ' ' HG3' ' B' ' 442' ' ' LYS . 54.0 mt -95.13 135.97 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -105.81 154.71 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.42 24.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.45 130.6 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 448' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.6 t-105 -114.78 116.25 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 449' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 4.8 m-20 -109.46 127.16 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.289 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 450' ' ' SER . . . . . 0.523 ' OG ' ' NE2' ' B' ' 452' ' ' HIS . 1.8 t -115.93 122.83 46.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 451' ' ' ILE . . . . . 0.471 HD11 HD21 ' B' ' 347' ' ' LEU . 41.6 mt -127.97 100.75 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.222 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 452' ' ' HIS . . . . . 0.523 ' NE2' ' OG ' ' B' ' 450' ' ' SER . 15.3 m-70 -108.64 132.44 53.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.72 95.66 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.216 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.73 153.61 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -131.81 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 16.2 t -79.11 139.62 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -123.49 68.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 458' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 98.0 mt-10 -40.35 146.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.63 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 459' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' B' ' 464' ' ' THR . 64.4 tttm -109.38 141.95 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.88 -54.21 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.7 146.55 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 462' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 59.18 -0.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.73 0.3 . . . . 0.0 110.563 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 462' ' ' GLY . 4.0 t -82.3 123.63 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.86 33.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -92.93 126.56 38.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.15 139.43 38.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -135.82 86.16 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 470' ' ' THR . . . . . . . . . . . . . 16.3 m -157.84 62.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.029 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 471' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.7 p -64.72 174.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 472' ' ' THR . . . . . 0.448 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.79 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 473' ' ' VAL . . . . . 0.467 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 91.9 t -69.72 143.86 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.058 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 474' ' ' MET . . . . . 0.459 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 18.4 ttm -124.85 95.99 4.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.133 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 475' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.8 tp -86.68 131.18 34.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 476' ' ' TRP . . . . . 0.442 ' CD1' ' C ' ' B' ' 476' ' ' TRP . 3.6 t-105 -125.26 130.29 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -137.35 124.69 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.742 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 478' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' B' ' 479' ' ' THR . 1.1 tm0? -138.22 158.15 44.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.434 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 479' ' ' THR . . . . . 0.521 ' CG2' ' HB3' ' B' ' 487' ' ' MET . 4.1 t -163.42 127.5 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 480' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.8 m-20 -108.22 73.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 88.4 tttt -107.58 146.68 31.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 482' ' ' THR . . . . . 0.525 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.6 m -57.27 -46.03 83.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.57 -25.31 68.68 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.1 p -125.9 14.87 8.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.632 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 486' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 484' ' ' SER . 69.1 p -126.04 114.0 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.513 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 487' ' ' MET . . . . . 0.847 ' HA ' ' OG ' ' A' ' 208' ' ' SER . 11.7 ttt -125.11 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -119.0 124.02 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.608 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 489' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.4 tp -131.69 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.41 -163.82 21.79 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 491' ' ' GLY . . . . . 0.628 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.87 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 492' ' ' SER . . . . . 0.628 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.0 p 163.25 135.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 493' ' ' LEU . . . . . 0.55 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.48 149.44 30.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 494' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' B' ' 495' ' ' ARG . 5.3 p -127.09 142.87 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.504 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 495' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 494' ' ' THR . 15.0 mmt180 -149.95 128.73 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.666 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.88 160.53 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 16.3 tpp -160.03 130.49 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 498' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.9 pm0 -133.53 141.55 47.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -172.2 145.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.9 p-10 -91.2 125.21 35.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -120.72 160.17 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 67.6 p -94.27 131.9 39.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.64 122.38 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 86.7 p -143.01 -177.26 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.94 77.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.58 -19.87 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 22.0 t -135.45 73.47 62.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 508' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 7.9 Cg_exo -72.54 -172.62 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.851 2.368 . . . . 0.0 112.182 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -58.69 -62.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.9 mt -42.79 -49.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 511' ' ' ALA . . . . . 0.464 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -55.0 -49.25 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.626 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -62.97 -48.18 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.05 -33.64 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.63 73.76 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.29 -44.33 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.691 0.282 . . . . 0.0 110.731 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.26 -52.45 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.53 -47.15 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -57.91 -51.72 68.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 519' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.7 t0 -63.55 -37.48 87.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 5.3 tpt -64.37 -49.44 71.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 521' ' ' GLU . . . . . 0.402 ' OE1' ' CG2' ' B' ' 473' ' ' VAL . 2.9 tp10 -62.57 -45.35 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.688 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -56.81 -41.54 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -70.59 -38.42 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 524' ' ' ILE . . . . . 0.426 ' HA ' HD13 ' B' ' 524' ' ' ILE . 27.6 mm -74.48 -24.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 525' ' ' ARG . . . . . 0.561 ' CZ ' ' CE2' ' A' ' 255' ' ' PHE . 1.5 tmt_? -68.71 -27.68 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.3 t -85.01 -38.76 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 71.0 p -66.04 -35.79 81.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.709 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 44.6 mt -64.99 -42.37 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -68.54 -31.29 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 530' ' ' GLU . . . . . 0.967 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.2 mt-10 -74.4 -54.43 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -61.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.562 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 532' ' ' TYR . . . . . 0.709 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 15.9 m-85 -50.27 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 533' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.77 40.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.585 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 534' ' ' GLY . . . . . 0.967 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' B' ' 536' ' ' THR . 31.0 mmtp -56.91 -68.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.557 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.661 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 51.2 p -34.79 -57.98 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.4 -53.28 30.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.17 -44.94 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 539' ' ' ILE . . . . . 0.662 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 34.3 mm -61.74 -36.04 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.46 -41.97 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -69.82 -17.08 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.33 47.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.462 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.13 -51.44 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 544' ' ' ARG . . . . . 0.818 ' HG2' ' H ' ' B' ' 545' ' ' SER . 3.5 tmt_? -141.8 170.12 16.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 545' ' ' SER . . . . . 0.818 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.6 t -142.16 137.86 31.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 546' ' ' ILE . . . . . 0.513 HG23 ' N ' ' B' ' 547' ' ' ASP . 10.7 tt -69.1 -43.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 547' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 548' ' ' ALA . 67.2 t0 -82.9 138.6 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.614 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.12 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' B' ' 551' ' ' ASP . 82.4 mt -79.54 112.75 31.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.2 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.92 2.413 . . . . 0.0 112.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.1 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -129.9 116.19 18.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.524 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -85.3 -24.79 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 558' ' ' LEU . 64.4 tttm -52.56 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -45.13 -56.69 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 556' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' B' ' 556' ' ' LYS . 4.1 mptp? -57.53 -46.95 83.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.762 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.81 -29.72 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.786 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 558' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.3 tp -77.76 -30.37 51.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.54 -36.38 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -58.2 -40.51 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.777 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 561' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 565' ' ' VAL . 72.6 mm-40 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.699 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 50.0 tp -49.1 -40.69 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.6 m -61.21 -76.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.736 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -36.72 -13.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 22.3 t -72.11 -42.71 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.0 tp -81.45 -35.57 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.612 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.22 -19.65 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -117.51 6.63 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.94 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.858 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.5 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 571' ' ' ILE . . . . . 0.858 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 3.5 mm . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 601' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.1 5.98 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 603' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' C' ' 607' ' ' MET . 10.8 p-10 -49.85 -37.78 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 604' ' ' LYS . . . . . 0.451 ' H ' ' HG3' ' C' ' 604' ' ' LYS . 59.0 mttt -69.71 -52.2 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.09 -28.93 56.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -75.64 -53.66 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 607' ' ' MET . . . . . 0.533 ' HG2' HD11 ' C' ' 632' ' ' LEU . 44.1 mtm -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -56.76 -16.02 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 609' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.42 -50.69 13.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.639 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.2 1.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 611' ' ' LYS . . . . . 0.654 ' HZ1' ' CG ' ' B' ' 439' ' ' ASP . 54.0 tttp -102.07 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.4 -4.22 21.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 613' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.83 58.53 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 9.6 t0 -63.89 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 615' ' ' LEU . . . . . 0.933 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.7 tm? -44.93 -17.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.71 -27.54 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.536 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 617' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.5 tp10 -81.54 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 618' ' ' VAL . . . . . 0.513 ' CG1' HD22 ' C' ' 615' ' ' LEU . 8.4 p -62.82 -28.37 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 619' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 87.9 tttt -66.23 -21.86 66.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 620' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 31.1 t70 -75.4 -45.48 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -60.91 -59.2 5.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.575 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.69 -27.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 623' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.67 -16.8 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.81 -76.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 625' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.88 82.31 0.1 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 626' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.6 pt-20 34.31 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 627' ' ' ASP . . . . . 0.537 ' O ' ' NE ' ' C' ' 630' ' ' ARG . 40.0 m-20 -141.0 62.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 628' ' ' VAL . . . . . 0.788 ' O ' HG23 ' C' ' 628' ' ' VAL . 19.9 m -121.97 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 629' ' ' ASN . . . . . 0.504 ' H ' ' HD2' ' C' ' 630' ' ' ARG . 65.0 t30 -173.06 5.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 630' ' ' ARG . . . . . 0.694 ' H ' ' CD ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.04 166.82 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 631' ' ' THR . . . . . 0.505 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.07 87.64 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 632' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' C' ' 607' ' ' MET . 16.3 tp -31.28 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.429 ' H ' ' HB3' ' C' ' 632' ' ' LEU . 84.5 tt0 -71.67 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.36 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 635' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.72 0.18 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.9 164.92 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.548 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 637' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.5 mptm? -108.42 156.97 37.69 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.821 2.348 . . . . 0.0 112.138 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 639' ' ' LEU . . . . . 0.487 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.7 -16.32 10.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.502 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.18 -43.86 49.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -71.71 -35.96 70.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.96 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 4.5 t70 -60.63 -35.65 76.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 645' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.2 t -160.92 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.04 34.08 4.47 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 647' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 13.9 mm100 51.75 4.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.525 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 648' ' ' LEU . . . . . 0.916 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 6.99 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.78 -12.58 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.53 -36.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.629 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 1.098 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 652' ' ' GLU . . . . . 0.824 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 85.2 tt0 -56.22 -22.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.528 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 653' ' ' PHE . . . . . 0.973 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.89 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 654' ' ' LEU . . . . . 1.025 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.34 6.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.637 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 655' ' ' LEU . . . . . 0.973 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.93 -47.86 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.27 -25.41 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.523 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.78 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 658' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.3 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 659' ' ' ALA . . . . . 0.71 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.04 33.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 660' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.0 m-20 -57.42 10.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 661' ' ' ILE . . . . . 0.71 ' H ' ' C ' ' C' ' 659' ' ' ALA . 8.4 tp -66.01 1.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 662' ' ' ASN . . . . . 1.086 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.61 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 663' ' ' ALA . . . . . 0.771 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.09 -33.67 0.28 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 664' ' ' PRO . . . . . 1.086 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.9 Cg_exo -46.93 120.8 4.43 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.868 2.378 . . . . 0.0 112.095 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -125.9 -50.49 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -78.78 -16.15 57.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 667' ' ' HIS . . . . . 0.462 ' N ' ' ND1' ' C' ' 667' ' ' HIS . 3.7 m80 -80.51 -6.23 57.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.586 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 40.44 37.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 670' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.0 OUTLIER -96.24 168.68 10.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 671' ' ' PRO . . . . . 0.473 ' O ' ' OG ' ' C' ' 674' ' ' SER . 51.3 Cg_endo -72.48 -30.48 12.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.785 2.323 . . . . 0.0 112.144 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.38 -49.04 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 673' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.4 tp -67.9 -27.77 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 674' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.2 p -51.81 -40.9 61.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 675' ' ' ALA . . . . . 0.417 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.59 -29.96 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 676' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 8.8 t -47.17 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 677' ' ' TYR . . . . . 0.516 ' O ' ' NZ ' ' B' ' 442' ' ' LYS . 25.3 t80 -77.9 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 678' ' ' GLU . . . . . 0.465 ' OE1' ' NZ ' ' B' ' 442' ' ' LYS . 34.2 tp10 -124.5 -28.66 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.44 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.0 m80 -71.97 -53.54 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 681' ' ' VAL . . . . . 0.778 ' O ' HG22 ' C' ' 684' ' ' VAL . 6.7 m 43.31 -5.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.2 m -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.93 -48.72 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 684' ' ' VAL . . . . . 0.778 HG22 ' O ' ' C' ' 681' ' ' VAL . 4.2 m -41.86 -34.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 685' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' C' ' 687' ' ' LEU . 37.9 ttmt -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.91 1.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 687' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 688' ' ' LEU . . . . . 0.475 HD12 ' O ' ' C' ' 693' ' ' ASP . 7.0 tt -45.73 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 689' ' ' SER . . . . . 0.408 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.2 m -55.8 -21.56 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.539 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -99.65 -6.24 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 692' ' ' ALA . . . . . 0.585 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 90.2 m-20 33.17 -128.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.597 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 694' ' ' LYS . . . . . 0.453 ' O ' HG23 ' C' ' 695' ' ' THR . 34.1 ttpt -152.5 -23.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 695' ' ' THR . . . . . 0.53 ' CG2' ' OG1' ' C' ' 703' ' ' THR . 0.7 OUTLIER -156.61 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.69 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -140.13 23.54 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.8 20.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 699' ' ' PRO . . . . . 0.659 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 77.6 Cg_exo -44.82 -27.77 2.61 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.789 2.326 . . . . 0.0 112.15 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 700' ' ' ASP . . . . . 0.659 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 4.4 m-20 157.79 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 701' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' C' ' 705' ' ' LEU . . . -84.82 0.31 89.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 702' ' ' LEU . . . . . 0.629 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.8 -66.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 703' ' ' THR . . . . . 0.886 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 89.6 m 16.17 -95.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 704' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 705' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' C' ' 701' ' ' GLY . 2.5 tt -62.86 -75.52 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.614 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.68 15.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 707' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 708' ' ' THR . . . . . 0.541 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.1 m -139.82 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 709' ' ' ASP . . . . . 0.541 ' H ' HG22 ' C' ' 708' ' ' THR . 53.8 p-10 -148.76 -4.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -72.55 151.84 42.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.55 -20.54 62.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.16 -60.37 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 713' ' ' ILE . . . . . 0.407 HG21 HD12 ' C' ' 713' ' ' ILE . 0.0 OUTLIER -70.06 -37.64 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.579 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.09 -29.9 23.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 715' ' ' ALA . . . . . 0.567 ' O ' ' HG ' ' C' ' 716' ' ' LEU . . . -28.23 14.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 716' ' ' LEU . . . . . 0.792 ' O ' ' CB ' ' C' ' 717' ' ' LEU . 2.0 mp -161.07 98.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 717' ' ' LEU . . . . . 0.792 ' CB ' ' O ' ' C' ' 716' ' ' LEU . 1.1 tt 124.14 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 718' ' ' GLN . . . . . 0.745 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 36.4 tt0 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.596 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 8' ' ' VAL . 12.0 p -54.1 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.739 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.4 t -45.83 162.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.654 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 43.3 p-10 -64.9 -33.63 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 96.6 mt-10 -60.47 -39.32 87.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.55 -41.03 84.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.7 t -65.26 -43.76 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -61.53 -39.72 92.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.461 HD12 ' CG ' ' B' ' 327' ' ' ASP . 31.4 mm -65.44 -47.37 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.89 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 97.0 mttt -65.88 -41.34 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -65.16 -44.81 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.66 -46.51 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -76.03 8.47 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.78 15.4 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.492 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.52 146.96 81.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 12.3 Cg_exo -68.21 167.56 21.68 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.352 . . . . 0.0 112.036 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.02 116.24 4.61 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.751 2.301 . . . . 0.0 112.101 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.45 35.5 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -149.31 37.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 110.516 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 52.6 p90 -73.95 -48.78 28.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 66.5 t30 -57.03 -57.38 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.618 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -44.53 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.6 t -60.82 -42.52 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.631 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 79.5 t80 -59.2 -50.85 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -59.99 -37.98 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.667 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.03 -42.08 97.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 32' ' ' VAL . 82.7 t -67.05 -41.9 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -56.31 -54.85 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.405 HD13 ' SG ' ' B' ' 308' ' ' CYS . 35.7 mt -59.3 -34.79 72.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 mt -73.26 -49.71 26.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 63.3 t30 46.65 49.67 13.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 69.9 m-20 -168.68 79.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -51.87 -37.94 54.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -54.16 -44.18 71.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.29 -30.82 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.631 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 35.2 tp -62.76 -38.68 91.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -66.25 -35.5 80.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -41.02 -59.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.87 48.63 0.92 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.13 -56.82 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.56 87.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -54.31 -37.02 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.33 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 32.6 m-85 -46.59 -56.57 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.66 -72.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 87.0 mt-30 -33.65 -45.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.03 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -47.0 -30.88 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 76.4 mtp -68.89 -66.54 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 174' ' ' ARG . 98.0 m-20 -67.91 10.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 63' ' ' THR . 15.6 mm100 -124.56 24.79 7.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.6 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 77.8 m-85 23.83 44.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.0 m -58.83 111.34 3.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.7 Cg_exo -75.65 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.874 2.382 . . . . 0.0 112.219 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG22 ' N ' ' A' ' 66' ' ' LYS . 10.3 p -109.41 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.643 ' N ' HG22 ' A' ' 65' ' ' VAL . 34.9 pttt -125.16 103.96 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.665 ' O ' ' C ' ' A' ' 68' ' ' GLU . 48.0 mt -51.52 148.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 67' ' ' ILE . 84.0 tt0 -13.22 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.793 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.9 m-85 -137.47 14.71 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.627 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 4.7 p-10 20.2 39.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 1.074 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.2 t0 -98.78 19.41 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 22.8 mm100 -0.22 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.074 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.92 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.725 HD12 ' C ' ' A' ' 74' ' ' VAL . 9.9 mp -113.34 152.38 30.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 95.8 mt -104.14 105.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.2 p -130.13 -176.95 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.8 -31.26 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.485 ' CE1' HD13 ' A' ' 155' ' ' ILE . 86.1 m-70 -64.0 -23.64 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.15 15.68 50.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -85.53 100.02 11.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.8 0.333 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp -49.61 -51.55 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.73 25.38 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.79 9.34 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.599 ' NH2' ' O ' ' A' ' 107' ' ' ASP . 29.8 mtp180 -108.35 168.7 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.519 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 53.9 m-85 -114.51 -170.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -118.3 157.38 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.703 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 18.5 t0 -139.33 89.03 12.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.561 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 23.5 Cg_exo -61.01 -36.69 81.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.852 2.368 . . . . 0.0 111.995 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -59.43 -75.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -76.43 -20.4 57.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.703 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 62.0 mttm 62.76 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.527 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 15.4 tt -146.5 154.43 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.567 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.818 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.8 t -92.65 133.02 36.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.708 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 37.7 p90 -140.11 136.61 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.7 tttt -88.62 113.38 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.878 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.6 t80 -82.71 133.11 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 31.1 t0 -104.6 90.16 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.522 ' CB ' ' HB3' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -36.38 -67.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.593 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.518 ' HG ' ' CD2' ' A' ' 100' ' ' HIS . 69.4 mt -47.41 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.0 tpp180 -52.75 156.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -88.88 2.35 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -117.27 150.22 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.878 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.5 m -95.53 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.599 ' O ' ' NH2' ' A' ' 86' ' ' ARG . 1.3 m-20 73.75 54.51 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.818 ' CA ' ' O ' ' A' ' 95' ' ' SER . 57.2 Cg_endo -73.5 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.839 2.36 . . . . 0.0 112.069 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.815 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.9 OUTLIER -160.15 124.57 2.1 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -47.2 131.0 17.55 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.841 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.404 ' OE2' HD11 ' A' ' 88' ' ' LEU . 72.5 tt0 -122.91 102.52 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.0 p-10 -75.5 88.45 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.98 164.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.02 -30.07 58.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 71.94 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.74 -59.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.11 3.34 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' GLN . 37.9 ttpt -53.98 -41.91 68.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER -39.21 -55.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -62.58 -47.59 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.851 HH21 ' H ' ' A' ' 145' ' ' GLY . 22.0 ttm180 -53.89 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.647 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 35.4 t70 -25.44 -45.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.91 -67.25 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 6.3 t -51.1 -48.55 61.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.62 ' CG ' ' HB ' ' A' ' 143' ' ' VAL . 0.9 OUTLIER -40.47 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 27.0 m -48.04 -46.15 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.449 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.28 -51.49 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.82 -12.23 60.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.471 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 126' ' ' SER . 13.5 tpt180 -66.39 -32.78 74.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.555 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 18.5 t80 -54.73 -38.79 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 134' ' ' ASP . 19.2 m -74.75 -40.52 46.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 61.9 mttm -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.57 7.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.544 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.535 ' HB3' ' HE ' ' B' ' 544' ' ' ARG . 38.6 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 44.5 m-85 -114.67 106.45 52.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.55 -57.17 2.34 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.764 2.31 . . . . 0.0 112.072 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -127.55 50.06 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.82 163.64 12.64 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.546 ' CB ' HD11 ' A' ' 75' ' ' LEU . 95.0 m-85 -135.09 158.15 45.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.628 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 2.9 p -129.54 162.25 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.546 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 24.9 m -161.38 97.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.62 ' HB ' ' CG ' ' A' ' 125' ' ' ASP . 49.3 t -75.75 143.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 37.2 m-85 -120.21 124.29 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.542 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.851 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.77 84.53 0.37 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -123.76 167.37 14.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.56 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.0 p -107.55 115.38 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.504 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 148' ' ' ILE . 2.9 tt -91.16 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 46.62 54.22 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.91 -62.84 4.16 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -53.8 129.83 34.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.661 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.735 ' H ' HG21 ' A' ' 181' ' ' ILE . 71.5 mt-30 -85.82 150.52 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.3 t -155.25 146.13 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.513 HD13 HD21 ' A' ' 117' ' ' LEU . 12.9 mm -108.48 110.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.443 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 77.1 mt -98.12 117.08 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 116.07 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 37.5 m -106.16 135.44 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ILE . . . . . 0.651 HD13 ' OG ' ' A' ' 175' ' ' SER . 4.8 mp -122.76 137.71 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.188 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 14.7 tm-20 -131.3 151.96 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.396 . . . . 0.0 111.008 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.94 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 16.6 p-80 -140.71 170.61 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -148.62 77.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.237 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -65.35 147.44 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.462 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.2 tm0? -167.96 66.05 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.8 Cg_endo -60.72 -52.13 4.11 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.786 2.324 . . . . 0.0 112.109 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -43.83 -8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.418 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 8.5 m120 -121.89 -10.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.819 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.12 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.819 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.6 p-90 158.77 127.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -136.0 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.348 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.84 163.14 29.04 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.75 136.64 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' TRP . . . . . 0.733 ' N ' ' O ' ' A' ' 160' ' ' SER . 7.1 t-105 -107.55 138.89 42.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 193' ' ' LYS . 53.3 mtp180 -125.36 152.3 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.21 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.651 ' OG ' HD13 ' A' ' 158' ' ' ILE . 0.0 OUTLIER -166.31 111.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.913 0.387 . . . . 0.0 111.025 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.635 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 85.4 tt0 -116.39 124.69 50.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.124 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 44.9 m95 -120.59 116.94 26.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.913 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -98.58 119.83 37.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.412 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.722 ' O ' ' HA ' ' A' ' 153' ' ' THR . 3.0 t80 -117.46 88.58 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.743 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.678 ' O ' ' O ' ' A' ' 179' ' ' PHE . 2.9 t -50.05 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 182' ' ' THR . 0.0 OUTLIER -164.31 151.33 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.687 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.928 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.76 61.41 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.472 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 1.07 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 83.9 Cg_exo -34.36 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.434 2.756 . . . . 0.0 112.688 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' PRO . . . . . 0.928 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.8 Cg_endo -79.87 -4.35 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.876 2.384 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' THR . . . . . 1.055 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.6 OUTLIER 159.36 -18.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.24 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.156 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.8 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.942 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 1.063 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.3 mt-30 -106.75 -115.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.223 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.774 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.5 t 145.66 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.774 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.37 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.78 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.535 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 192' ' ' LEU . 6.7 mp -85.6 157.86 20.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' LYS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 30.5 mttt -150.32 147.83 28.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 194' ' ' ILE . . . . . 0.768 HD13 ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -149.49 134.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.306 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.768 ' N ' HD13 ' A' ' 194' ' ' ILE . 89.0 mt-30 -142.37 130.28 21.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.911 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.703 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 2.9 t -132.7 136.61 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.169 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 197' ' ' HIS . . . . . 0.77 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 8.9 t-80 -126.5 141.56 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.945 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 198' ' ' TYR . . . . . 0.604 ' O ' ' CD2' ' A' ' 198' ' ' TYR . 61.4 t80 -145.54 87.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.286 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.5 t80 -100.1 87.8 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 61.7 tt0 -129.46 52.14 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.32 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ASP . . . . . 0.799 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 59.5 t0 114.87 2.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.407 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.66 -129.11 1.08 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -172.85 99.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.575 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.05 129.13 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.554 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' GLN . . . . . 0.703 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.6 tt0 -136.73 154.12 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.529 HD22 ' OH ' ' A' ' 247' ' ' TYR . 12.7 tp -122.24 87.22 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 207' ' ' VAL . . . . . 0.453 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 13.5 t -90.06 122.22 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.383 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 208' ' ' SER . . . . . 0.432 ' HB2' HG22 ' A' ' 194' ' ' ILE . 0.7 OUTLIER -149.56 147.19 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.807 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 19.6 p-80 -157.82 145.11 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -135.45 129.04 32.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 44.1 p-10 -103.56 129.85 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.19 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.9 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -150.2 102.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 214' ' ' ASP . . . . . 0.619 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.1 t0 -118.88 166.06 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 215' ' ' SER . . . . . 1.063 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 21.6 p -117.8 103.42 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 216' ' ' VAL . . . . . 1.156 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 88.9 t -91.95 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 217' ' ' GLN . . . . . 1.055 ' HA ' ' O ' ' A' ' 185' ' ' THR . 79.7 mt-30 -102.64 128.06 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 1.07 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 76.6 t -85.98 137.48 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.628 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.5 t -131.04 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 220' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 224' ' ' THR . 3.0 t -100.23 -163.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 221' ' ' ASP . . . . . 0.464 ' O ' HG22 ' A' ' 224' ' ' THR . 45.1 t0 -86.85 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.11 -24.67 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -74.01 -56.74 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 221' ' ' ASP . 15.2 t -54.66 -36.88 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' ALA . . . . . 0.466 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.58 -57.11 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.447 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -57.1 -30.47 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.62 -38.76 84.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.481 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 4.9 t80 -67.72 -53.91 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.414 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 229' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.3 mm -52.17 -27.35 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.366 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -74.85 -36.74 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 231' ' ' ILE . . . . . 0.5 HG13 HG21 ' A' ' 216' ' ' VAL . 35.9 mm -67.51 -41.19 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.443 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 232' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 177' ' ' TRP . 43.1 mt -70.07 -44.51 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -57.08 -46.97 82.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -69.68 -43.88 71.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.94 61.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 236' ' ' GLU . . . . . 0.565 ' CG ' ' NH1' ' B' ' 544' ' ' ARG . 15.9 tp10 -60.17 -44.1 95.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 237' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.03 -40.24 88.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.74 -34.33 73.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.42 -44.48 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -38.98 82.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 78.0 m -61.48 -45.74 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.69 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.17 -47.59 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.63 -34.22 73.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.9 -42.92 84.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.09 -34.66 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 247' ' ' TYR . . . . . 0.549 ' O ' ' OG ' ' A' ' 251' ' ' SER . 3.4 m-85 -64.91 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 248' ' ' GLN . . . . . 0.555 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 78.0 mt-30 -73.23 -50.86 20.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 249' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 253' ' ' THR . 81.5 p -64.75 -34.84 79.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 46.3 mtt -72.92 -14.46 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 251' ' ' SER . . . . . 0.64 ' OG ' ' HB3' ' B' ' 533' ' ' PHE . 1.1 m -113.0 -10.07 13.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 252' ' ' ASP . . . . . 0.786 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 3.0 p30 -132.1 47.72 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 8.4 m 175.73 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 254' ' ' THR . . . . . 0.514 ' OG1' ' CD1' ' B' ' 444' ' ' ILE . 9.2 m -53.52 -61.17 2.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 255' ' ' PHE . . . . . 0.651 ' CE1' ' ND2' ' B' ' 529' ' ' ASN . 3.4 t80 -47.74 -57.52 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 256' ' ' LYS . . . . . 0.723 ' NZ ' ' NE ' ' C' ' 636' ' ' ARG . 6.9 ptmm? -64.17 -11.83 34.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.21 -18.2 30.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 259' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.61 174.45 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 260' ' ' ARG . . . . . 0.525 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 0.7 OUTLIER -109.16 153.19 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -83.72 -11.21 57.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.61 133.27 3.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 263' ' ' PRO . . . . . 0.724 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.91 135.4 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.915 2.41 . . . . 0.0 112.056 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 264' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 265' ' ' THR . 4.4 m -37.75 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 265' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 265' ' ' THR . 82.2 m -64.18 -5.42 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 266' ' ' ARG . . . . . 0.681 ' N ' ' O ' ' A' ' 263' ' ' PRO . 20.8 mmm180 54.13 55.59 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 267' ' ' THR . . . . . 0.638 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.7 m 173.27 114.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.638 ' C ' ' O ' ' A' ' 267' ' ' THR . 68.7 mttm -16.71 131.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 269' ' ' ILE . . . . . . . . . . . . . 2.2 pt -50.34 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.805 ' O ' ' N ' ' A' ' 273' ' ' LYS . 1.0 OUTLIER -117.12 58.57 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 271' ' ' TRP . . . . . 0.626 ' CE2' ' HA3' ' B' ' 514' ' ' GLY . 77.5 m95 -21.52 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 272' ' ' ASN . . . . . 0.586 ' ND2' ' O ' ' B' ' 506' ' ' SER . 5.7 m120 -44.66 -25.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 273' ' ' LYS . . . . . 1.249 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 2.5 mptm? -100.0 -7.66 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 274' ' ' ILE . . . . . 0.585 ' N ' ' O ' ' A' ' 271' ' ' TRP . 18.4 mm -103.2 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 275' ' ' LEU . . . . . 0.722 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 276' ' ' SER . . . . . 1.314 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.3 t 141.95 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.578 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 1.249 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.7 t80 -30.92 43.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 278' ' ' LYS . . . . . 1.314 ' N ' ' O ' ' A' ' 276' ' ' SER . 36.2 tptt -107.66 80.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.631 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.8 mt 54.22 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.65 -135.17 0.0 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.523 -179.848 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 302' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 44.1 t . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -42.8 -51.18 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.32 -34.16 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.464 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 302' ' ' SER . 89.7 mt-30 -60.74 -49.03 79.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.26 -40.63 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.94 -40.84 95.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.353 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 308' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 38' ' ' LEU . 84.4 m -68.07 -37.21 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.708 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.22 -42.09 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.397 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.31 -38.45 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.385 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.28 -33.66 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.2 tp -68.83 -43.7 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 313' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' B' ' 313' ' ' MET . 0.0 OUTLIER -64.42 -25.55 68.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.434 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.35 -12.31 58.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 315' ' ' ARG . . . . . 0.541 HH11 ' HG2' ' B' ' 315' ' ' ARG . 66.5 mtt-85 -100.06 -46.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.59 147.7 95.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.65 128.45 21.12 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.768 2.312 . . . . 0.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -71.48 -4.05 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.854 2.369 . . . . 0.0 112.06 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -80.53 -17.8 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -123.94 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 63.4 mt -63.4 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.76 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.534 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -54.66 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -54.69 -55.76 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.468 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.469 HD12 HG11 ' B' ' 343' ' ' VAL . 4.2 tt -47.14 -48.9 23.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.17 -49.68 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.37 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 327' ' ' ASP . . . . . 0.461 ' CG ' HD12 ' A' ' 16' ' ' ILE . 54.5 m-20 -62.39 -40.73 97.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.426 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 328' ' ' LEU . . . . . 0.708 HD21 ' HB1' ' B' ' 309' ' ' ALA . 55.9 tp -55.56 -40.99 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.498 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.48 -41.23 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.74 -37.96 74.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.24 -29.06 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.441 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.55 84.6 9.05 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.456 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.07 -5.59 15.09 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.752 2.301 . . . . 0.0 112.046 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 63.9 m -89.3 -6.46 56.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.458 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.0 mt -119.03 20.84 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 336' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.2 p -64.04 -55.95 18.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.564 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 97.6 mt-10 -60.35 -50.4 73.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.535 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.75 -36.13 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 339' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 67.9 mt -79.11 -28.62 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.9 mt -81.44 12.36 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 56.3 p -144.09 -3.67 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.7 t -119.41 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 343' ' ' VAL . . . . . 0.469 HG11 HD12 ' B' ' 325' ' ' LEU . 81.5 t -105.86 120.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -87.86 128.64 35.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.23 165.94 28.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 125.31 5.91 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.817 2.345 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 347' ' ' LEU . . . . . 0.476 HD21 HD11 ' B' ' 451' ' ' ILE . 95.9 mt -66.71 122.5 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -88.65 148.8 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.418 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.9 tt -102.95 136.34 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' ALA . . . . . 0.731 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.34 143.35 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.627 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.968 ' O ' ' N ' ' B' ' 356' ' ' GLY . 62.5 t0 -111.9 81.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 353' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.7 mttt -37.21 -63.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 66.3 t -39.49 -52.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.1 t -92.97 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.968 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.71 70.47 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.12 154.89 28.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 358' ' ' ASP . . . . . 0.731 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 91.6 m-20 -94.68 143.08 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 39.3 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.25 156.63 38.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 1.038 HD23 ' H ' ' B' ' 362' ' ' CYS . 0.6 OUTLIER -108.57 158.56 17.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 362' ' ' CYS . . . . . 1.038 ' H ' HD23 ' B' ' 361' ' ' LEU . 29.5 p -168.23 168.62 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.4 p-10 -75.44 -10.29 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.648 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 364' ' ' TYR . . . . . 0.479 ' HB2' HG11 ' B' ' 431' ' ' VAL . 99.3 m-85 -88.38 -18.23 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.463 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 365' ' ' ASN . . . . . 0.765 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 38.3 p-10 -123.16 24.74 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -119.99 129.93 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -122.22 99.53 6.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.08 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.3 8.75 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 370' ' ' SER . . . . . 1.101 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.35 161.36 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 371' ' ' TYR . . . . . 1.101 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.0 OUTLIER -118.32 150.78 38.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 372' ' ' ARG . . . . . 0.596 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 11.9 ttm180 -98.76 124.75 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 373' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 10.5 t -79.65 133.81 58.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.89 -14.8 19.16 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.88 2.387 . . . . 0.0 112.216 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 375' ' ' TRP . . . . . 0.406 ' HE1' ' HB3' ' B' ' 359' ' ' TYR . 52.4 m95 -85.9 -66.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 77.8 p -83.14 -18.61 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 377' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' B' ' 373' ' ' SER . 53.3 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -141.6 137.9 32.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 379' ' ' TYR . . . . . 1.101 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 32.6 m-85 -65.7 140.42 58.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.622 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 380' ' ' ASP . . . . . 0.75 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.97 -60.4 6.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.396 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 1.101 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.2 Cg_exo -65.43 119.97 7.09 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.54 79.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.98 2.453 . . . . 0.0 112.239 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.54 177.55 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.584 ' H ' HD23 ' B' ' 383' ' ' LEU . 98.5 mt-10 -111.64 -72.16 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -116.99 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.15 151.74 47.49 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 387' ' ' ALA . . . . . 0.505 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.96 127.27 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.628 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.3 ptp -132.31 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.87 150.75 49.96 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.797 2.331 . . . . 0.0 112.18 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.2 m -52.76 142.96 17.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.61 -43.79 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -67.91 -37.81 82.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -55.35 -36.79 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -63.53 -46.59 85.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.33 -32.03 73.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.319 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -67.79 -38.08 82.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.02 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.78 -36.97 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.332 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.92 94.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.411 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 401' ' ' ASN . 55.7 t-20 -63.94 -39.05 93.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.345 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.08 -40.36 68.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.04 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.25 -29.28 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.453 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 405' ' ' ASP . 65.4 t0 -54.61 -38.86 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -77.06 -32.9 57.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.78 -18.63 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 408' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 9.7 ptt180 -83.79 -35.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 409' ' ' ASP . . . . . 0.481 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 95.6 m-20 -85.14 -8.93 58.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.595 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 410' ' ' LEU . . . . . 0.681 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 52.0 mt -95.84 -17.96 20.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 411' ' ' TYR . . . . . 0.724 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.86 -38.06 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.552 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 68.4 m-85 -100.6 -25.95 13.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 413' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.0 mt-10 63.55 24.32 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.75 -154.46 25.42 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.37 -163.44 52.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 19.5 t -128.71 153.72 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 38.4 t -143.6 148.48 35.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 23.3 m -148.21 143.95 27.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.88 130.24 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.715 ' C ' HD12 ' B' ' 421' ' ' LEU . 60.7 m-85 -128.4 132.42 48.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.715 HD12 ' C ' ' B' ' 420' ' ' TYR . 11.2 mp -119.66 158.43 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.708 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 422' ' ' TRP . . . . . 0.928 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.7 p-90 -154.51 110.55 3.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -43.03 159.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 424' ' ' LEU . . . . . 0.466 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.0 tp -127.85 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 425' ' ' ASP . . . . . 0.466 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 68.0 t0 -87.32 -49.84 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -129.8 30.71 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.65 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 429' ' ' ALA . . . . . 0.928 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -124.01 172.87 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.15 161.67 35.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.08 126.41 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.508 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.5 mp -103.32 113.64 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.604 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' B' ' 450' ' ' SER . 47.9 mt -102.88 143.19 32.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 434' ' ' ILE . . . . . 0.478 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.68 119.88 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -122.57 127.51 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 436' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.14 119.59 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.21 40.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.627 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.15 179.48 45.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.68 128.07 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.879 0.371 . . . . 0.0 110.522 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.83 75.75 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 89.0 p -110.42 -4.27 15.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 0.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.532 ' HZ2' ' HB3' ' C' ' 644' ' ' ASP . 55.1 mmtt -89.14 153.91 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -56.91 -43.8 81.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 444' ' ' ILE . . . . . 0.645 HG22 ' OG1' ' B' ' 479' ' ' THR . 9.5 pt -95.15 135.95 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -105.77 154.71 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.74 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 76.5 m -149.47 130.65 14.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 448' ' ' TRP . . . . . 0.539 ' CZ2' HG21 ' B' ' 473' ' ' VAL . 6.4 t-105 -114.81 116.23 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 449' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 4.6 m-20 -109.47 127.24 54.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.234 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 450' ' ' SER . . . . . 0.478 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.94 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.945 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 451' ' ' ILE . . . . . 0.476 HD11 HD21 ' B' ' 347' ' ' LEU . 45.4 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.254 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.2 m-70 -108.67 132.41 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.82 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 78.0 t -128.71 95.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.22 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 454' ' ' VAL . . . . . 0.424 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.9 p -96.7 153.59 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 455' ' ' GLU . . . . . 0.424 ' N ' HG22 ' B' ' 454' ' ' VAL . 95.6 mt-10 -131.82 102.25 5.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.338 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 456' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' B' ' 467' ' ' TYR . 63.3 t -79.08 139.64 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -123.52 68.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.447 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 458' ' ' GLU . . . . . 0.475 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 82.4 tt0 -40.28 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.632 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 459' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' B' ' 464' ' ' THR . 88.3 tttt -109.35 142.01 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.04 -54.09 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.77 146.52 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 462' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.36 -12.75 47.88 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 69.4 mtm-85 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.8 t -82.28 123.64 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 465' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.71 151.86 32.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -92.96 126.57 38.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 467' ' ' TYR . . . . . 0.41 ' CE2' HG22 ' B' ' 456' ' ' VAL . 88.5 m-85 -103.14 139.49 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.89 86.12 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 469' ' ' LEU . . . . . 0.778 HD12 ' H ' ' B' ' 470' ' ' THR . 29.4 tp -82.13 157.56 24.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 470' ' ' THR . . . . . 0.778 ' H ' HD12 ' B' ' 469' ' ' LEU . 80.7 m -157.84 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.105 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 471' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 64.6 p -64.63 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.092 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 472' ' ' THR . . . . . 0.467 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.73 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.143 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 473' ' ' VAL . . . . . 0.539 HG21 ' CZ2' ' B' ' 448' ' ' TRP . 7.7 p -69.74 143.79 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 474' ' ' MET . . . . . 0.535 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.6 ttt -124.78 96.01 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.166 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 475' ' ' LEU . . . . . 0.617 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.1 tp -86.64 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 130.31 51.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 29.4 mt -137.43 124.67 21.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.743 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.19 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 479' ' ' THR . . . . . 0.645 ' OG1' HG22 ' B' ' 444' ' ' ILE . 72.8 m -163.44 127.46 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.642 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 480' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.15 73.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttm -107.61 146.68 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 53.0 p -57.28 -46.03 83.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 483' ' ' GLY . . . . . 0.474 ' H ' ' HG2' ' B' ' 481' ' ' LYS . . . -63.55 -25.33 68.66 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 484' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 486' ' ' THR . 34.7 p -125.88 14.83 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 110.607 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.59 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 486' ' ' THR . . . . . 0.446 ' N ' ' O ' ' B' ' 484' ' ' SER . 12.6 p -125.97 113.97 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.499 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 22.8 ttp -125.09 118.07 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -118.98 123.98 45.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 489' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.8 tp -131.66 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.87 21.78 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 491' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.67 11.08 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 492' ' ' SER . . . . . 0.718 ' C ' HD22 ' B' ' 493' ' ' LEU . 24.7 t 163.27 135.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 493' ' ' LEU . . . . . 0.718 HD22 ' C ' ' B' ' 492' ' ' SER . 4.1 mm? -110.59 149.45 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 494' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 56.6 m -127.09 142.84 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -149.91 128.69 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.701 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 496' ' ' GLN . . . . . 0.609 ' N ' ' NE2' ' B' ' 496' ' ' GLN . 1.4 mp0 -92.82 160.59 14.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 27.3 ttt -160.09 130.44 5.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 498' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.6 pm0 -133.53 141.61 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -172.21 145.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.1 p-10 -91.31 125.23 36.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.66 160.18 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.26 131.82 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.62 122.42 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 92.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.94 -35.87 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 506' ' ' SER . . . . . 0.586 ' O ' ' ND2' ' A' ' 272' ' ' ASN . 78.1 p -83.63 -19.81 34.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 18.3 t -135.51 73.45 62.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 508' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.2 Cg_exo -72.54 -172.6 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.8 2.333 . . . . 0.0 112.171 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -58.77 -62.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 67.4 mt -42.77 -48.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 511' ' ' ALA . . . . . 0.476 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -55.03 -49.24 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.585 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.97 -48.17 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.06 -33.63 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.599 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 514' ' ' GLY . . . . . 0.626 ' HA3' ' CE2' ' A' ' 271' ' ' TRP . . . -66.71 -46.54 74.6 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -57.38 -44.36 84.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.692 0.282 . . . . 0.0 110.675 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.24 -52.46 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.543 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.45 -47.24 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.621 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -57.87 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 519' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.4 t0 -63.56 -37.43 87.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.739 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.6 tpp -64.44 -49.38 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 521' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 524' ' ' ILE . 5.4 tp10 -62.61 -45.29 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.705 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 522' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 28.5 t-20 -56.88 -41.44 78.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.58 -38.52 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 524' ' ' ILE . . . . . 0.481 ' O ' HD23 ' B' ' 528' ' ' LEU . 2.4 tp -74.35 -24.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 525' ' ' ARG . . . . . 0.649 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.63 66.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 526' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.0 t -85.02 -38.77 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.694 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 11.8 m -66.0 -35.77 81.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 3.0 mm? -65.01 -42.31 94.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 529' ' ' ASN . . . . . 0.651 ' ND2' ' CE1' ' A' ' 255' ' ' PHE . 10.8 m120 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.645 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.38 -54.47 7.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.39 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 532' ' ' TYR . . . . . 0.749 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 6.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 533' ' ' PHE . . . . . 0.64 ' HB3' ' OG ' ' A' ' 251' ' ' SER . 0.2 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.08 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' B' ' 536' ' ' THR . 8.7 ttmm -56.93 -68.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.461 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.6 m -34.73 -58.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -50.37 -53.26 30.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -53.21 -44.93 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 539' ' ' ILE . . . . . 0.598 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 35.2 mm -61.77 -36.06 71.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.42 -42.0 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.71 -17.23 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.39 -27.4 48.28 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.6 mt -68.07 -51.46 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.747 0.308 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 544' ' ' ARG . . . . . 0.762 ' HG2' ' H ' ' B' ' 545' ' ' SER . 24.4 ttt180 -141.8 170.09 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.697 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 545' ' ' SER . . . . . 0.762 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 11.2 t -142.2 137.87 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 546' ' ' ILE . . . . . 0.418 HG13 ' N ' ' B' ' 547' ' ' ASP . 9.6 pt -69.05 -43.49 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 547' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 547' ' ' ASP . 50.6 p-10 -82.88 138.59 33.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.06 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 551' ' ' ASP . 18.8 mt -79.44 112.67 30.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.4 Cg_exo -46.48 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.897 2.398 . . . . 0.0 112.077 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.573 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.28 145.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.63 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 552' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 31.5 p30 -129.88 116.19 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.29 -24.8 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.651 ' HG3' ' H ' ' B' ' 555' ' ' TYR . 12.9 ptmt -52.56 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 555' ' ' TYR . . . . . 0.651 ' H ' ' HG3' ' B' ' 554' ' ' LYS . 91.4 t80 -45.16 -56.67 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.53 -46.91 83.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.88 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.8 -30.31 51.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -73.58 -36.39 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -58.15 -40.55 81.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 561' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 565' ' ' VAL . 11.9 tm-20 -67.79 -61.77 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.721 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.887 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 51.9 tp -49.04 -40.67 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.675 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 66.4 m -61.22 -76.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 563' ' ' SER . 99.3 mm-40 -36.78 -13.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.887 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.5 t -72.14 -42.71 67.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 563' ' ' SER . 53.5 mt -81.47 -35.6 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.6 p -70.23 -19.6 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -117.58 6.66 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.942 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 1.0 OUTLIER -160.94 -141.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.942 ' HB3' ' O ' ' B' ' 569' ' ' ARG . 0.0 OUTLIER 139.74 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 571' ' ' ILE . . . . . 0.815 HG22 ' O ' ' B' ' 570' ' ' GLN . 3.1 tp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 601' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' C' ' 601' ' ' MET . 4.8 mpp? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.98 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 603' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' C' ' 604' ' ' LYS . 36.2 p-10 -49.76 -37.87 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 604' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' C' ' 603' ' ' ASP . 97.9 mttt -69.73 -52.17 27.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -55.08 -28.95 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -75.68 -53.63 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 607' ' ' MET . . . . . 0.516 ' HG2' HD11 ' C' ' 632' ' ' LEU . 9.5 mtt -72.74 -36.83 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -56.82 -15.97 5.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 609' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.65 13.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 610' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' C' ' 610' ' ' LEU . 4.0 mt -66.23 1.97 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 611' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' C' ' 609' ' ' ALA . 87.8 tttt -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.35 -4.24 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 613' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.0 21.87 58.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 614' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' C' ' 616' ' ' ASP . 7.4 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.515 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 615' ' ' LEU . . . . . 0.957 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.7 tm? -45.0 -17.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 616' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.9 m-20 -77.68 -27.54 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 617' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 614' ' ' ASP . 54.7 mm-40 -81.44 -49.91 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 618' ' ' VAL . . . . . 0.527 ' CG1' HD22 ' C' ' 615' ' ' LEU . 7.8 p -62.85 -28.35 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.581 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 619' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 54.4 tttp -66.2 -21.86 66.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 620' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.2 t0 -75.38 -45.39 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 621' ' ' TYR . . . . . 0.508 ' CE2' ' OD2' ' C' ' 627' ' ' ASP . 53.1 t80 -60.98 -59.17 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -27.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.561 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 623' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.73 -16.76 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.78 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 625' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.89 82.35 0.1 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 626' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' C' ' 625' ' ' GLY . 5.1 pt-20 34.24 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 627' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' C' ' 621' ' ' TYR . 45.7 p30 -141.02 62.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 628' ' ' VAL . . . . . 0.773 ' O ' HG23 ' C' ' 628' ' ' VAL . 20.1 m -122.0 76.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -173.04 5.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 630' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' C' ' 630' ' ' ARG . 80.0 mtt-85 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 631' ' ' THR . . . . . 0.498 ' O ' ' C ' ' C' ' 632' ' ' LEU . 68.2 p -82.08 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 632' ' ' LEU . . . . . 0.516 HD11 ' HG2' ' C' ' 607' ' ' MET . 15.3 tp -31.3 -88.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.413 ' OE2' ' OH ' ' C' ' 641' ' ' TYR . 95.8 mt-10 -71.69 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 634' ' ' GLY . . . . . 0.402 ' H ' HH11 ' A' ' 260' ' ' ARG . . . -153.65 -11.39 0.07 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 635' ' ' GLY . . . . . 0.528 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 636' ' ' ARG . . . . . 0.723 ' NE ' ' NZ ' ' A' ' 256' ' ' LYS . 19.0 ttm180 -127.88 164.95 21.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 637' ' ' LYS . . . . . 0.522 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.45 157.01 37.64 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.66 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.862 2.374 . . . . 0.0 112.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 639' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.73 -16.31 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 640' ' ' HIS . . . . . 0.549 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 33.4 t-80 -75.21 -43.88 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 641' ' ' TYR . . . . . 0.622 ' CE2' ' NH1' ' C' ' 636' ' ' ARG . 25.6 m-85 -71.7 -36.0 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.483 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 642' ' ' ALA . . . . . 0.669 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -45.01 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.46 62.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 644' ' ' ASP . . . . . 0.549 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 75.3 m-20 -60.6 -35.67 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.532 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 645' ' ' CYS . . . . . 0.48 ' SG ' ' NZ ' ' B' ' 442' ' ' LYS . 2.2 p -160.91 65.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 646' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.05 34.1 4.46 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 647' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.9 mt-30 51.68 4.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 648' ' ' LEU . . . . . 0.965 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 6.97 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.587 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -115.72 -12.6 11.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.55 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 1.074 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.27 -52.96 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 652' ' ' GLU . . . . . 0.747 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 66.9 mm-40 -56.2 -22.62 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.87 -97.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 654' ' ' LEU . . . . . 1.018 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.43 6.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 15.5 tp -102.91 -47.94 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.27 -25.38 64.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -72.75 -90.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 658' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.28 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 659' ' ' ALA . . . . . 0.693 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.506 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 660' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.44 10.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 661' ' ' ILE . . . . . 0.693 ' H ' ' C ' ' C' ' 659' ' ' ALA . 3.1 tp -66.02 1.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 662' ' ' ASN . . . . . 1.112 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.9 p30 -163.65 -18.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 663' ' ' ALA . . . . . 0.77 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.18 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 664' ' ' PRO . . . . . 1.112 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.2 Cg_exo -46.95 120.83 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.902 2.402 . . . . 0.0 112.106 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 665' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 26.9 p-10 -125.93 -50.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 666' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 32.9 ttmt -78.89 -16.11 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 667' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.2 m80 -80.49 -6.25 57.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 669' ' ' ILE . . . . . 0.491 HG22 ' O ' ' C' ' 667' ' ' HIS . 16.1 tt -176.91 147.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.494 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 670' ' ' THR . . . . . 0.416 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.71 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 671' ' ' PRO . . . . . 0.487 ' O ' ' OG ' ' C' ' 674' ' ' SER . 53.2 Cg_endo -72.52 -30.49 12.18 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.82 2.346 . . . . 0.0 112.11 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.742 HD23 ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.32 -49.11 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.517 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 673' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.2 mp -67.88 -27.79 66.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.529 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 674' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' C' ' 677' ' ' TYR . 17.7 p -51.77 -40.9 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 675' ' ' ALA . . . . . 0.414 ' HB3' HG12 ' C' ' 684' ' ' VAL . . . -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 676' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.8 t -47.13 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 677' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' C' ' 674' ' ' SER . 33.7 p90 -77.89 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -124.56 -28.64 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.23 -11.35 72.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 5.9 m-70 -71.9 -53.56 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 681' ' ' VAL . . . . . 0.722 ' O ' HG22 ' C' ' 684' ' ' VAL . 1.4 t 43.28 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.626 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.38 -24.31 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 684' ' ' VAL . . . . . 0.722 HG22 ' O ' ' C' ' 681' ' ' VAL . 2.3 m -41.89 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 685' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' C' ' 687' ' ' LEU . 53.9 tttp -62.55 -73.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 1.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 687' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' C' ' 661' ' ' ILE . 24.0 tp -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.62 -21.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.3 m -55.71 -21.6 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -99.64 -6.24 27.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.76 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 692' ' ' ALA . . . . . 0.552 ' HB2' HG12 ' C' ' 661' ' ' ILE . . . 24.2 18.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 44.2 t0 33.16 -128.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.581 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 694' ' ' LYS . . . . . 0.531 ' HG3' HG22 ' C' ' 695' ' ' THR . 62.6 pttt -152.56 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 695' ' ' THR . . . . . 0.663 ' O ' HG23 ' C' ' 695' ' ' THR . 8.2 t -156.57 73.48 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.41 -29.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -140.12 23.6 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.74 20.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 699' ' ' PRO . . . . . 0.644 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.76 -27.74 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.813 2.342 . . . . 0.0 112.184 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 700' ' ' ASP . . . . . 0.644 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 3.8 m-20 157.73 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 701' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' C' ' 705' ' ' LEU . . . -84.85 0.39 89.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 702' ' ' LEU . . . . . 0.636 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.81 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 703' ' ' THR . . . . . 0.869 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 14.5 p 16.23 -95.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 704' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.63 -18.63 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 705' ' ' LEU . . . . . 0.597 ' HB3' ' O ' ' C' ' 701' ' ' GLY . 2.7 tt -62.88 -75.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.609 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.8 15.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.51 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 707' ' ' ALA . . . . . 0.869 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 54.9 p -139.79 -142.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -148.86 -4.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -72.61 151.82 42.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -71.51 -20.52 62.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.19 -60.39 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.01 -37.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -52.07 -29.89 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.26 14.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 716' ' ' LEU . . . . . 0.827 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 717' ' ' LEU . . . . . 0.827 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 0.8 OUTLIER 124.15 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 718' ' ' GLN . . . . . 0.72 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 4.9 tp-100 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 7' ' ' ARG . 74.3 mtt-85 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.07 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.782 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.9 p -45.93 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 14' ' ' VAL . 98.9 m-20 -64.98 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.57 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.47 -39.33 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -67.57 -40.95 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.634 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -63.69 -35.9 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.2 t -65.22 -43.81 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.52 -39.74 92.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.44 -47.36 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.95 75.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.56 75.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.97 -41.34 91.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -65.14 -44.86 87.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.678 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.66 -46.46 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -75.99 8.4 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.71 15.33 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.96 81.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.21 167.48 21.9 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.844 2.363 . . . . 0.0 112.037 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 47.2 Cg_endo -70.87 116.15 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.785 2.323 . . . . 0.0 112.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.44 35.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.537 ' OE1' ' NH1' ' B' ' 315' ' ' ARG . 42.6 mt-10 -149.27 37.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -73.99 -48.76 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -57.04 -57.44 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.547 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 41.4 mp0 -44.47 -54.46 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.0 t -60.74 -42.57 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 37.2 t80 -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.06 -37.87 81.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.13 -42.03 96.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 32' ' ' VAL . 90.2 t -67.07 -41.9 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.611 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.27 -54.86 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.2 mm? -59.29 -34.78 72.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.26 -49.69 26.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.77 -32.57 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.7 t30 46.56 49.76 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.539 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 28.2 t-20 -168.69 79.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -51.86 -37.89 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -54.18 -44.22 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.8 mt -77.2 -30.86 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.531 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.4 tp -62.77 -38.66 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.18 -35.61 80.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.566 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -40.95 -59.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.69 0.92 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.12 -56.81 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.46 87.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.33 -36.97 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.631 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.46 -54.45 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.53 -56.59 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.64 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.4 tp60 -33.6 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -59.99 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -46.97 -30.93 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.1 ttp -68.9 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.85 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.7 mm-40 -124.56 24.8 7.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.87 44.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.489 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' GLN . 24.1 m -58.8 111.36 3.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.7 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.92 2.413 . . . . 0.0 112.182 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.4 p -109.38 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.63 ' N ' HG22 ' A' ' 65' ' ' VAL . 23.4 ttpp -125.2 103.97 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.526 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.887 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.56 148.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.887 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.535 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.41 75.16 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.788 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.49 14.78 2.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.631 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.606 ' C ' ' O ' ' A' ' 70' ' ' TYR . 31.6 t70 20.17 39.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 1.072 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.4 OUTLIER -98.77 19.39 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.706 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.0 mm100 -0.24 50.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.487 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.072 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.72 ' N ' HG22 ' A' ' 74' ' ' VAL . 47.4 mt -113.36 152.31 30.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.05 105.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.18 -176.91 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.83 -31.27 45.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.455 ' CE1' HD13 ' A' ' 155' ' ' ILE . 80.3 m-70 -64.03 -23.54 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.64 50.51 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.52 100.03 11.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.344 . . . . 0.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -49.66 -51.48 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.74 25.36 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -116.04 1.19 13.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.825 0.345 . . . . 0.0 110.634 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.23 -15.79 9.3 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' A' ' 107' ' ' ASP . 14.7 mtt-85 -108.4 168.74 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.1 m-85 -114.57 -170.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.9 tp -118.31 157.32 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.706 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.0 t0 -139.29 89.0 12.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.8 Cg_endo -60.96 -36.7 81.77 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.855 2.37 . . . . 0.0 112.022 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -59.47 -75.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.676 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 t-20 -76.53 -20.34 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.51 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 29.1 mttp 62.77 62.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.648 HD13 ' OD1' ' A' ' 92' ' ' ASN . 23.5 pt -146.43 154.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.829 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.5 t -92.64 132.99 36.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.8 p90 -140.1 136.68 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.459 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.687 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 73.7 tttt -88.73 113.42 24.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.896 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 47.9 t80 -82.71 133.1 35.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 102' ' ' ARG . 8.7 t70 -104.51 90.07 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.581 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.461 ' CB ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.44 -67.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 101' ' ' LEU . 11.0 mp -47.52 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 99' ' ' ASP . 86.7 mtm180 -52.8 156.32 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -88.94 2.37 53.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.862 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 63.3 m -95.56 -164.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.862 ' OD1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 73.72 54.54 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.829 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.2 Cg_endo -73.53 -177.82 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.801 2.334 . . . . 0.0 112.081 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.0 OUTLIER -160.09 124.56 2.11 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.483 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.18 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.86 2.373 . . . . 0.0 112.04 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -122.87 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -75.52 88.45 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.4 p -46.93 164.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.07 -30.08 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.94 35.62 1.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.677 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.5 tp -104.1 3.36 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.708 ' HZ2' HH21 ' A' ' 121' ' ' ARG . 10.6 mmpt? -53.97 -41.89 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 94.9 mt-30 -39.25 -55.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -62.54 -47.62 83.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.708 HH21 ' HZ2' ' A' ' 118' ' ' LYS . 5.5 tmm_? -53.91 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.568 ' C ' ' O ' ' A' ' 121' ' ' ARG . 99.6 m-20 -25.5 -45.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.99 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.424 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.2 t70 -40.38 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 31.6 m -48.02 -46.16 32.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.501 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.32 -51.41 34.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -72.84 -12.25 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.637 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.41 -32.7 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.631 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.602 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.74 -38.8 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 134' ' ' ASP . 93.8 t -74.72 -40.54 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 49.9 tttm -76.12 25.95 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.631 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.6 m-20 -147.55 7.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -151.07 -21.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' B' ' 544' ' ' ARG . 85.5 m-85 -114.66 106.43 52.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.58 -57.19 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.833 2.355 . . . . 0.0 112.045 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -127.57 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.91 163.62 12.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.585 ' HB2' HD21 ' A' ' 75' ' ' LEU . 55.5 m-85 -135.05 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 110.599 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.9 m -161.41 97.37 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 40.8 t -75.73 143.39 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.589 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 54.8 m-85 -120.21 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.73 84.56 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -123.81 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 38.4 t -107.61 115.39 30.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.541 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.499 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 20.5 mt -91.14 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.51 ' O ' ' OD2' ' A' ' 149' ' ' ASP . 4.4 p-10 46.64 54.18 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.73 4.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.78 129.84 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.651 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.657 ' H ' HG21 ' A' ' 181' ' ' ILE . 22.7 mt-30 -85.8 150.47 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.436 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.959 HG23 ' C ' ' A' ' 179' ' ' PHE . 99.2 m -155.21 146.23 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.53 110.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.403 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.589 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 85.5 mt -98.05 117.01 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.83 116.05 27.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 47.1 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.0 mt -122.71 137.69 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.253 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.37 151.91 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.986 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.744 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.91 121.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' HIS . . . . . 0.673 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.9 p-80 -140.64 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.992 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -148.63 77.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.207 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.673 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.4 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.45 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.3 tm0? -167.99 66.01 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.59 -52.18 4.16 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.839 2.36 . . . . 0.0 112.141 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -43.85 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.466 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.687 ' N ' ' O ' ' A' ' 165' ' ' PRO . 3.1 m120 -121.96 -10.5 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.46 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.813 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.4 m-85 70.07 80.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.813 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.7 p-90 158.8 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.96 162.32 33.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.86 163.15 29.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.579 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.8 ttp180 -165.69 136.7 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' TRP . . . . . 0.744 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.5 t-105 -107.61 138.91 42.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.83 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -125.35 152.27 44.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.179 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.474 ' HB2' ' NE1' ' A' ' 173' ' ' TRP . 1.0 OUTLIER -166.33 111.12 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.058 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.641 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 43.8 tt0 -116.41 124.7 50.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.076 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.689 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.9 m95 -120.59 116.87 26.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.953 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.56 119.8 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.959 ' C ' HG23 ' A' ' 153' ' ' THR . 34.9 m-85 -117.48 88.56 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.95 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 16.6 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ILE . . . . . 0.82 ' O ' HG23 ' A' ' 182' ' ' THR . 9.6 tp -164.31 151.34 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.942 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.48 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 1.056 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 79.7 Cg_exo -34.33 12.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.416 2.744 . . . . 0.0 112.712 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' PRO . . . . . 0.942 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 61.6 Cg_endo -79.83 -4.29 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.855 2.37 . . . . 0.0 112.153 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' THR . . . . . 1.073 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.181 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.84 131.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.941 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 1.085 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 3.1 mp0 -106.73 -115.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.249 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.65 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.764 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.8 111.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.49 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.77 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' LEU . . . . . 0.707 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 2.4 mp -85.57 157.83 20.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -150.33 147.78 28.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 2.3 mt -149.42 134.08 9.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.276 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.34 130.31 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.904 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.69 136.63 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.159 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 197' ' ' HIS . . . . . 0.773 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.4 t-160 -126.52 141.56 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.927 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 198' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.52 87.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.783 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.8 p90 -100.09 87.79 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.8 tt0 -129.46 52.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.334 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.9 m-20 114.82 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.401 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.68 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -172.84 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.02 129.13 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 31.5 mt-30 -136.73 154.16 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.542 HD12 ' O ' ' B' ' 488' ' ' ASN . 12.4 tp -122.32 87.16 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.6 t -89.98 122.19 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 53.3 p -149.58 147.2 27.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 209' ' ' HIS . 17.6 p-80 -157.84 145.13 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.19 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -135.46 129.01 32.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.866 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' A' ' 191' ' ' VAL . 65.7 m-20 -103.56 129.83 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 212' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 212' ' ' ILE . 2.0 mp -127.13 154.93 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.913 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -150.23 102.67 3.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' ASP . . . . . 0.647 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 35.2 t70 -118.83 166.1 13.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.72 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 215' ' ' SER . . . . . 1.085 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 83.6 p -117.79 103.39 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 216' ' ' VAL . . . . . 1.181 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.95 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 217' ' ' GLN . . . . . 1.073 ' HA ' ' O ' ' A' ' 185' ' ' THR . 84.1 mt-30 -102.68 128.03 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 1.069 HG23 ' HB2' ' A' ' 186' ' ' ALA . 67.3 t -85.99 137.52 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.615 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.956 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.04 -98.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 220' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.24 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 221' ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.3 p-10 -86.82 -62.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.47 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 91.7 t -70.06 -24.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.95 -56.78 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.956 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.8 p -54.59 -36.93 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.431 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.58 -57.05 14.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.465 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.372 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -67.6 -38.8 84.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.414 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.437 ' CE1' HG11 ' A' ' 216' ' ' VAL . 37.7 m-85 -67.73 -53.92 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 229' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.19 -27.27 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -74.89 -36.75 62.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.337 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 231' ' ' ILE . . . . . 0.415 HD11 ' HB ' ' A' ' 216' ' ' VAL . 94.9 mt -67.52 -41.14 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 232' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' A' ' 236' ' ' GLU . 51.5 mt -70.12 -44.49 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.393 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 234' ' ' ASN . 4.5 tm-20 -57.06 -47.02 81.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.495 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 234' ' ' ASN . . . . . 0.434 ' OD1' ' OE1' ' A' ' 233' ' ' GLU . 99.0 m-20 -69.58 -43.93 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.86 61.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.475 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 236' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 232' ' ' ILE . 76.5 mm-40 -60.24 -44.09 95.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 237' ' ' ASN . . . . . 0.577 ' O ' HG23 ' A' ' 241' ' ' THR . 0.3 OUTLIER -60.09 -40.15 88.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.409 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -69.86 -34.22 73.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 239' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 243' ' ' ILE . 51.8 t80 -68.54 -44.41 74.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -68.14 -39.02 82.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 237' ' ' ASN . 17.5 p -61.42 -45.79 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 243' ' ' ILE . . . . . 0.492 HD11 ' CE2' ' A' ' 239' ' ' TYR . 40.5 mt -69.15 -47.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.552 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 39.0 t -60.66 -34.25 74.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.88 -42.93 84.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 246' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 250' ' ' MET . 7.6 m120 -62.13 -34.61 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.496 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 247' ' ' TYR . . . . . 0.586 ' CE2' ' NZ ' ' B' ' 537' ' ' LYS . 0.0 OUTLIER -64.92 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.28 -50.85 19.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 249' ' ' THR . . . . . 0.559 ' O ' ' HB ' ' A' ' 253' ' ' THR . 45.7 p -64.76 -34.84 79.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.574 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 250' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.2 ptp -72.88 -14.43 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.9 p -113.06 -10.06 13.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 252' ' ' ASP . . . . . 0.656 ' O ' ' OG1' ' A' ' 253' ' ' THR . 54.5 t0 -132.16 47.77 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 253' ' ' THR . . . . . 0.656 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.1 m 175.71 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 254' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 253' ' ' THR . 6.8 m -53.48 -61.3 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -47.65 -57.55 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -64.18 -11.76 33.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.23 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 95.4 mt -77.97 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 259' ' ' ARG . . . . . 0.685 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 2.9 ttt180 -98.65 174.47 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 260' ' ' ARG . . . . . 0.685 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 49.1 mtp180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -83.77 -11.21 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.66 133.27 3.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 263' ' ' PRO . . . . . 0.722 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.94 135.4 7.82 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.92 2.414 . . . . 0.0 112.098 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 264' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 265' ' ' THR . 10.5 p -37.75 -39.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 265' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 267' ' ' THR . 63.1 p -64.19 -5.42 4.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 85.6 mtm180 54.18 55.52 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.4 t 173.31 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 63.9 mttp -16.8 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.575 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 269' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.7 OUTLIER -50.37 158.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.81 ' O ' ' N ' ' A' ' 273' ' ' LYS . 84.2 m-20 -117.07 58.52 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 271' ' ' TRP . . . . . 0.61 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.0 m95 -21.44 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.654 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 272' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 270' ' ' ASP . 17.4 t-20 -44.6 -25.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 273' ' ' LYS . . . . . 1.22 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -100.0 -7.7 24.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.601 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 274' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 274' ' ' ILE . 58.8 mt -103.12 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.626 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 275' ' ' LEU . . . . . 0.717 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.7 mt -111.12 44.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 276' ' ' SER . . . . . 1.285 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.8 p 141.93 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 1.22 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.2 t80 -30.97 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 278' ' ' LYS . . . . . 1.285 ' N ' ' O ' ' A' ' 276' ' ' SER . 13.7 mptt -107.71 80.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.573 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 1.076 ' O ' ' O ' ' A' ' 280' ' ' GLY . 17.8 mm 54.26 3.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 1.076 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.58 -135.16 0.0 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.525 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 302' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 28.9 t . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -42.71 -51.27 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -55.33 -34.13 63.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.72 -49.08 78.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.28 -40.6 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 99.2 m -68.2 -37.11 80.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.72 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.351 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.34 -38.41 84.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.368 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.29 -33.68 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.364 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.75 -43.77 75.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.2 mmm -64.37 -25.62 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.394 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 315' ' ' ARG . . . . . 0.604 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.6 mtt-85 -100.11 -46.87 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.69 147.73 95.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.618 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.65 128.4 21.03 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.828 2.352 . . . . 0.0 112.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 318' ' ' PRO . . . . . 0.423 ' HA ' HG13 ' B' ' 321' ' ' ILE . 41.9 Cg_endo -71.41 -4.09 14.29 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.858 2.372 . . . . 0.0 112.079 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -80.53 -17.81 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -123.96 39.53 3.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 321' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' B' ' 318' ' ' PRO . 86.8 mt -63.38 -40.89 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 322' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' B' ' 322' ' ' GLU . 3.2 mp0 -59.68 -60.87 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.62 -54.39 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -54.71 -55.77 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.443 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.52 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 43.9 tp -47.12 -48.95 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.422 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.9 t -57.1 -49.68 75.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.33 -40.71 97.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 328' ' ' LEU . . . . . 0.72 HD21 ' HB1' ' B' ' 309' ' ' ALA . 49.1 tp -55.55 -41.07 72.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.486 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.45 -41.19 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.434 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -57.75 -38.02 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.25 -29.07 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.369 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.15 -5.54 15.04 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.708 2.272 . . . . 0.0 112.056 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 94.1 p -89.36 -6.38 56.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 99.0 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 336' ' ' CYS . . . . . 0.428 ' SG ' HD11 ' B' ' 340' ' ' LEU . 12.2 t -64.13 -55.85 18.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.35 -50.43 73.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.73 -36.16 73.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.488 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 61.3 mt -79.08 -28.64 43.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.56 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 340' ' ' LEU . . . . . 0.649 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.5 mt -81.49 12.41 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 52.9 p -144.12 -3.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.0 p -119.4 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.83 120.1 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -87.84 128.69 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.52 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.33 165.93 29.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.527 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.52 125.27 5.97 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.794 2.33 . . . . 0.0 112.124 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 347' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 347' ' ' LEU . 97.4 mt -66.63 122.48 17.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -88.64 148.82 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.447 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.9 pt -102.96 136.4 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.725 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 350' ' ' ALA . . . . . 0.733 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.72 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.439 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -114.36 143.29 45.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 68.1 t0 -111.86 81.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.512 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 66.5 mmtt -37.26 -62.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 98.0 t -39.52 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.0 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.17 24.66 70.74 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' B' ' 352' ' ' ASP . 29.2 tptt -115.03 154.88 28.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.598 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 358' ' ' ASP . . . . . 0.733 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 39.3 p30 -94.75 143.05 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.689 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.5 p90 -139.68 135.71 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 58.8 mt -69.17 156.61 38.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.479 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.9 mt -108.5 158.62 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 362' ' ' CYS . . . . . 0.649 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.5 p -168.26 168.62 11.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 363' ' ' ASP . . . . . 0.649 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.8 t70 -75.47 -10.27 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 364' ' ' TYR . . . . . 0.608 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 44.5 m-85 -88.37 -18.18 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 365' ' ' ASN . . . . . 0.649 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 35.1 p-10 -123.28 24.82 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 366' ' ' ARG . . . . . 0.487 HH22 HD13 ' B' ' 340' ' ' LEU . 30.6 ttp180 -119.93 129.86 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.2 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.02 -98.72 1.74 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.3 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.545 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 370' ' ' SER . . . . . 1.101 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.39 161.31 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 371' ' ' TYR . . . . . 1.083 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.6 m-85 -118.29 150.79 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 372' ' ' ARG . . . . . 0.588 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.0 ttp180 -98.71 124.69 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 373' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 32.9 t -79.53 133.76 59.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.9 -14.77 19.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.831 2.354 . . . . 0.0 112.223 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -85.85 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.4 p -83.17 -18.6 38.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 377' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' B' ' 373' ' ' SER . 6.5 t-20 70.27 40.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -141.56 137.89 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 379' ' ' TYR . . . . . 1.083 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 35.8 m-85 -65.72 140.47 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 380' ' ' ASP . . . . . 0.754 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -52.02 -60.42 6.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 1.101 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.7 Cg_exo -65.42 120.03 7.16 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.001 2.467 . . . . 0.0 112.32 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.58 79.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.032 2.488 . . . . 0.0 112.233 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.57 177.55 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.52 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.596 ' H ' HD23 ' B' ' 383' ' ' LEU . 97.4 mt-10 -111.66 -72.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -117.01 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.525 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 387' ' ' ALA . . . . . 0.513 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.98 127.26 30.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 0.0 110.632 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.6 mtm -132.23 148.6 70.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.98 150.76 49.34 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.746 2.298 . . . . 0.0 112.17 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 93.8 p -52.72 142.9 17.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -67.92 -37.81 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 52.9 tp -70.82 -42.49 70.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.488 ' NE ' ' OD1' ' B' ' 377' ' ' ASN . 43.4 ttm180 -55.29 -36.84 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -63.53 -46.57 85.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.336 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.37 -32.02 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.567 ' CD ' HH22 ' B' ' 372' ' ' ARG . 43.0 tt0 -67.8 -38.04 82.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.06 -40.28 88.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -37.03 79.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.92 94.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.394 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 401' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.9 -39.07 93.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.367 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -72.13 -40.4 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.97 79.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.33 -29.2 66.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.416 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 23.4 m-20 -54.66 -38.85 67.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -77.03 -32.91 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 407' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 407' ' ' TYR . 2.0 t80 -69.74 -18.62 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 408' ' ' ARG . . . . . 0.601 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.2 OUTLIER -83.84 -35.48 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.547 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 409' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 9.7 t0 -85.2 -8.91 58.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 410' ' ' LEU . . . . . 0.674 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 46.4 mt -95.9 -17.87 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 411' ' ' TYR . . . . . 0.722 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.88 -38.08 3.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.547 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.6 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 63.47 24.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.52 25.5 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 415' ' ' GLY . . . . . 0.601 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.42 -163.49 52.91 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 15.5 t -128.66 153.69 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 19.8 p -143.52 148.52 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.701 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.3 m -148.22 143.97 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.397 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.83 130.26 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.808 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.551 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.2 m-85 -128.47 132.45 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.69 158.41 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.74 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 422' ' ' TRP . . . . . 0.975 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.6 p90 -154.48 110.53 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -43.01 159.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.633 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 424' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' B' ' 429' ' ' ALA . 56.7 mt -127.87 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 425' ' ' ASP . . . . . 0.434 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 98.0 m-20 -87.34 -49.88 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.74 30.69 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.68 -135.63 2.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 429' ' ' ALA . . . . . 0.975 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.97 172.8 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.76 35.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 431' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.4 p -130.13 126.36 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.33 113.67 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.3 mt -102.92 143.13 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 434' ' ' ILE . . . . . 0.459 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.65 119.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -122.56 127.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 436' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.2 tptm -137.17 119.67 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.536 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.17 40.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.12 179.48 45.25 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 439' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' B' ' 442' ' ' LYS . 62.6 m-20 -50.7 128.08 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.02 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 60.0 m -110.34 -4.28 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.618 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' B' ' 439' ' ' ASP . 0.0 OUTLIER -89.15 153.88 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.541 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -56.91 -43.82 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 444' ' ' ILE . . . . . 0.453 ' O ' ' HD3' ' B' ' 442' ' ' LYS . 12.8 tt -95.11 135.98 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.716 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.81 154.71 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.365 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.45 24.55 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 3.8 t -149.46 130.61 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.229 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 448' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.0 t-105 -114.77 116.25 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 449' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.47 127.19 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 450' ' ' SER . . . . . 0.6 ' OG ' ' CE1' ' B' ' 452' ' ' HIS . 1.2 t -115.89 122.72 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.0 mt -127.9 100.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.198 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 452' ' ' HIS . . . . . 0.6 ' CE1' ' OG ' ' B' ' 450' ' ' SER . 8.8 m-70 -108.71 132.49 53.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.825 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.7 t -128.74 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 454' ' ' VAL . . . . . 0.427 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.4 p -96.74 153.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 455' ' ' GLU . . . . . 0.427 ' N ' HG22 ' B' ' 454' ' ' VAL . 95.9 mt-10 -131.83 102.24 5.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 456' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' B' ' 467' ' ' TYR . 67.5 t -79.09 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.52 68.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.386 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 458' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 75.6 mt-10 -40.3 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 459' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.3 mmtp -109.33 142.04 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.96 -54.21 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.5 p -126.66 146.52 50.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.541 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 462' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.31 -12.79 48.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 59.16 -0.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.625 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.572 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.5 t -82.21 123.63 29.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 465' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.72 151.9 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.737 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 466' ' ' HIS . . . . . 0.52 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.7 t-160 -92.96 126.54 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 467' ' ' TYR . . . . . 0.419 ' CE2' HG22 ' B' ' 456' ' ' VAL . 88.6 m-85 -103.16 139.48 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.936 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -135.84 86.14 2.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 469' ' ' LEU . . . . . 0.753 HD12 ' H ' ' B' ' 470' ' ' THR . 34.9 tp -82.12 157.49 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 0.0 111.097 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 470' ' ' THR . . . . . 0.753 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.7 m -157.8 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.109 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 471' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 49.1 m -64.66 174.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.099 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 472' ' ' THR . . . . . 0.508 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.5 m -168.76 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.109 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 473' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.76 143.83 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 474' ' ' MET . . . . . 0.454 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.2 mtp -124.8 96.03 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.16 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 3.6 tp -86.7 131.19 34.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 476' ' ' TRP . . . . . 0.516 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 50.4 m95 -125.31 130.3 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.215 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 4.7 mp -137.36 124.68 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -138.22 158.1 44.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 3.6 m -163.42 127.48 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 480' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 89.1 m-20 -108.16 73.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 481' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' B' ' 485' ' ' GLY . 6.5 mmtt -107.56 146.6 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 20.2 m -57.24 -46.0 83.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.59 -25.3 68.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 484' ' ' SER . . . . . 0.454 ' O ' ' N ' ' B' ' 486' ' ' THR . 74.3 m -125.89 14.82 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.587 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 485' ' ' GLY . . . . . 0.878 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 486' ' ' THR . . . . . 0.454 ' N ' ' O ' ' B' ' 484' ' ' SER . 23.8 p -126.0 113.99 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.342 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 487' ' ' MET . . . . . 0.59 ' O ' ' SD ' ' B' ' 487' ' ' MET . 5.0 ppp? -125.14 118.05 25.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 488' ' ' ASN . . . . . 0.542 ' O ' HD12 ' A' ' 206' ' ' LEU . 34.0 t-20 -118.97 124.01 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 489' ' ' LEU . . . . . 0.452 ' HB2' HD13 ' A' ' 206' ' ' LEU . 13.2 tp -131.68 76.69 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.83 21.78 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 491' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.81 -142.64 11.08 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 492' ' ' SER . . . . . 0.645 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.5 p 163.25 135.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 494' ' ' THR . . . . . 0.508 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.6 m -127.11 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -149.98 128.76 12.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.643 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -92.81 160.54 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 47.1 ttp -160.05 130.42 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.52 141.62 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.24 145.83 1.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.52 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 56.5 m-20 -91.31 125.21 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 501' ' ' GLU . . . . . 0.424 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.3 tt0 -120.72 160.22 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.6 m -94.3 131.86 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.66 122.37 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.3 p -142.99 -177.25 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.83 -35.91 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.61 -19.88 34.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 14.2 t -135.5 73.48 62.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.59 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.79 2.327 . . . . 0.0 112.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.75 -62.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.81 -49.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.98 -49.23 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 512' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.5 m-20 -62.99 -48.14 80.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.04 -33.67 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.64 -46.63 74.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.29 -44.32 83.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.24 -52.55 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.39 -47.25 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.88 -51.75 68.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.47 -37.59 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 25.1 tpp -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.53 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -56.93 -41.42 78.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.61 -38.49 73.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 93.4 mt -74.45 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 525' ' ' ARG . . . . . 0.447 ' CG ' HH11 ' B' ' 525' ' ' ARG . 1.5 ttt-85 -68.73 -27.59 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -85.07 -38.73 18.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.649 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 13.5 m -66.04 -35.79 81.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 46.4 mt -64.98 -42.38 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -68.53 -31.3 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.4 -54.45 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 531' ' ' ILE . . . . . 0.403 HD12 HG23 ' B' ' 531' ' ' ILE . 48.8 mm -64.41 -61.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 532' ' ' TYR . . . . . 0.688 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.3 m-85 -50.22 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 533' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.76 40.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.497 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.3 tptm -56.93 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.546 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.445 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.9 m -34.78 -58.04 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 537' ' ' LYS . . . . . 0.586 ' NZ ' ' CE2' ' A' ' 247' ' ' TYR . 74.7 tttt -50.35 -53.24 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -53.26 -44.94 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 539' ' ' ILE . . . . . 0.458 HG21 HG13 ' A' ' 196' ' ' VAL . 91.2 mt -61.72 -36.05 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.42 -41.93 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -69.87 -17.11 63.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.46 -27.29 48.45 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.461 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.2 -51.45 45.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 544' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 8.5 ptm180 -141.78 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.683 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 545' ' ' SER . . . . . 0.509 ' CB ' HD11 ' B' ' 549' ' ' ILE . 35.8 t -142.19 137.91 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 546' ' ' ILE . . . . . 0.479 ' CD1' ' OD1' ' A' ' 237' ' ' ASN . 0.9 OUTLIER -69.1 -43.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -82.86 138.6 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.635 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 548' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.07 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 46.8 mm -79.5 112.75 31.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 550' ' ' PRO . . . . . 0.572 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.8 Cg_exo -46.58 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.867 2.378 . . . . 0.0 112.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.1 p-10 -25.28 145.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -129.91 116.17 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -85.3 -24.75 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.496 ' O ' HD13 ' B' ' 558' ' ' LEU . 64.1 mttp -52.55 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.74 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -57.5 -46.91 83.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.781 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -65.78 -29.7 70.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 558' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 554' ' ' LYS . 7.0 mp -77.78 -30.37 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -73.55 -36.37 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.15 -40.56 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.787 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 561' ' ' GLU . . . . . 0.589 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.2 mt-10 -67.87 -61.72 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.7 mt -49.03 -40.7 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.721 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 563' ' ' SER . . . . . 0.78 ' O ' ' N ' ' B' ' 565' ' ' VAL . 65.4 m -61.15 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.723 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.4 pt20 -36.74 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.13 -42.66 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.9 mt -81.5 -35.55 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.27 -19.6 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.58 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -117.53 6.69 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.773 ' O ' ' HB2' ' B' ' 570' ' ' GLN . 21.2 ttm180 -161.02 -141.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.866 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 50.1 tt0 139.8 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 571' ' ' ILE . . . . . 0.866 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 56.7 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 21.5 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 15.0 m 62.12 5.96 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -49.8 -37.83 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.521 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -69.67 -52.19 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -55.16 -28.91 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -75.62 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 607' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' C' ' 641' ' ' TYR . 38.7 ttp -72.79 -36.81 67.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -56.76 -16.01 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 609' ' ' ALA . . . . . 0.583 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.47 -50.63 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 610' ' ' LEU . . . . . 0.644 ' CD2' HG11 ' C' ' 618' ' ' VAL . 3.8 mt -66.29 1.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 611' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' C' ' 609' ' ' ALA . 7.0 tmtt? -102.08 -66.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -70.36 -4.26 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 613' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.07 21.84 58.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 614' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' C' ' 617' ' ' GLU . 2.6 t70 -63.87 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 110.555 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 615' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' C' ' 613' ' ' GLY . 1.8 pp -44.94 -18.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.584 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 616' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' C' ' 614' ' ' ASP . 5.0 p-10 -77.69 -27.56 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 617' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' C' ' 614' ' ' ASP . 45.7 tp10 -81.55 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.57 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 618' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' C' ' 610' ' ' LEU . 1.9 m -62.88 -28.39 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 619' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 88.4 tttt -66.16 -21.88 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 620' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 34.1 t70 -75.39 -45.44 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.96 -59.15 5.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.75 -27.86 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 623' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.75 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.656 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.78 -76.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.44 0.1 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 80.8 tt0 34.09 95.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 627' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 100.0 m-20 -140.94 62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.639 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 628' ' ' VAL . . . . . 0.511 HG21 ' H ' ' C' ' 658' ' ' GLY . 4.1 m -121.97 76.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 629' ' ' ASN . . . . . 0.402 ' H ' ' H ' ' C' ' 630' ' ' ARG . 65.8 t30 -173.01 5.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.705 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 630' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' C' ' 629' ' ' ASN . 26.8 mmt180 -79.02 166.83 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.535 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 631' ' ' THR . . . . . 0.507 ' O ' ' C ' ' C' ' 632' ' ' LEU . 43.5 p -82.04 87.65 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 632' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' C' ' 631' ' ' THR . 42.1 tp -31.23 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.506 ' OE1' ' NH2' ' C' ' 636' ' ' ARG . 78.0 tt0 -71.69 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.71 -11.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 635' ' ' GLY . . . . . 0.543 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.78 0.18 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 636' ' ' ARG . . . . . 0.506 ' NH2' ' OE1' ' C' ' 633' ' ' GLU . 80.2 mtm180 -127.93 164.88 21.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 637' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.61 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.88 2.387 . . . . 0.0 112.144 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 639' ' ' LEU . . . . . 0.622 HD22 ' OD1' ' C' ' 660' ' ' ASP . 1.1 tp -117.74 -16.3 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -75.29 -43.8 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 641' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' C' ' 607' ' ' MET . 0.9 OUTLIER -71.74 -35.93 70.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 642' ' ' ALA . . . . . 0.679 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.94 -45.0 75.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 643' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' C' ' 651' ' ' LEU . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 644' ' ' ASP . . . . . 0.498 ' O ' ' SG ' ' C' ' 645' ' ' CYS . 88.0 m-20 -60.6 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 645' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 18.9 m -160.88 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 646' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.07 4.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 647' ' ' GLN . . . . . 0.62 ' C ' ' HG ' ' C' ' 648' ' ' LEU . 0.7 OUTLIER 51.71 4.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 110.497 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 648' ' ' LEU . . . . . 0.976 HD13 ' OG ' ' C' ' 682' ' ' SER . 1.2 mt 71.65 6.94 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 649' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' C' ' 653' ' ' PHE . 97.5 mt-10 -115.75 -12.56 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 650' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' C' ' 653' ' ' PHE . 1.3 mm -87.56 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' C' ' 643' ' ' ALA . 1.4 tt -62.29 -52.98 61.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 652' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -56.19 -22.58 30.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 653' ' ' PHE . . . . . 0.974 ' O ' ' N ' ' C' ' 655' ' ' LEU . 4.5 m-85 -75.89 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 654' ' ' LEU . . . . . 0.505 ' N ' HD12 ' C' ' 654' ' ' LEU . 11.0 mp -41.33 6.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.637 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 655' ' ' LEU . . . . . 0.974 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.2 tt -102.97 -47.81 4.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.595 ' N ' HD23 ' C' ' 655' ' ' LEU . 5.8 tp -59.32 -25.34 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -72.75 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 658' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.36 -109.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 659' ' ' ALA . . . . . 0.71 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.37 . . . . 0.0 110.578 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 660' ' ' ASP . . . . . 0.622 ' OD1' HD22 ' C' ' 639' ' ' LEU . 0.9 OUTLIER -57.45 10.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 661' ' ' ILE . . . . . 0.71 ' H ' ' C ' ' C' ' 659' ' ' ALA . 13.1 pt -66.0 1.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 662' ' ' ASN . . . . . 1.101 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 21.0 t30 -163.68 -18.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 663' ' ' ALA . . . . . 0.763 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.11 -33.67 0.28 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 664' ' ' PRO . . . . . 1.101 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 78.6 Cg_exo -46.96 120.82 4.46 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.829 2.353 . . . . 0.0 112.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -125.9 -50.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.81 -16.17 57.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 667' ' ' HIS . . . . . 0.543 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 39.1 m80 -80.46 -6.32 57.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 668' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' C' ' 668' ' ' HIS . 57.2 t-80 40.6 37.31 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.571 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 669' ' ' ILE . . . . . 0.408 HG22 ' O ' ' C' ' 667' ' ' HIS . 5.7 tt -176.93 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 670' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.15 168.7 10.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 671' ' ' PRO . . . . . 0.488 ' HA ' ' OG ' ' C' ' 674' ' ' SER . 44.2 Cg_endo -72.51 -30.47 12.25 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.832 2.354 . . . . 0.0 112.147 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.593 ' CD1' ' HB1' ' C' ' 692' ' ' ALA . 8.2 mt -45.39 -49.06 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 673' ' ' LEU . . . . . 1.142 ' O ' ' CG2' ' C' ' 676' ' ' VAL . 43.5 mt -67.87 -27.75 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.585 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 674' ' ' SER . . . . . 0.488 ' OG ' ' HA ' ' C' ' 671' ' ' PRO . 25.0 m -51.83 -40.92 61.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 675' ' ' ALA . . . . . 0.432 ' HB3' ' CG2' ' C' ' 684' ' ' VAL . . . -74.54 -29.96 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.625 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 676' ' ' VAL . . . . . 1.142 ' CG2' ' O ' ' C' ' 673' ' ' LEU . 22.3 m -47.19 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 677' ' ' TYR . . . . . 0.922 ' H ' HG23 ' C' ' 676' ' ' VAL . 39.9 t80 -77.89 39.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -124.5 -28.72 3.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.26 -11.32 72.4 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 2.9 m80 -71.95 -53.57 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.25 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 682' ' ' SER . . . . . 0.976 ' OG ' HD13 ' C' ' 648' ' ' LEU . 0.2 OUTLIER -67.39 -24.31 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -48.63 6.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 684' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' C' ' 675' ' ' ALA . 48.5 t -41.91 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 685' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' C' ' 687' ' ' LEU . 65.6 tttm -62.59 -73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.88 1.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 687' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.7 OUTLIER -81.87 -70.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.598 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.65 -21.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 689' ' ' SER . . . . . 0.417 ' N ' ' C ' ' C' ' 687' ' ' LEU . 38.3 t -55.73 -21.61 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -99.63 -6.27 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.505 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 691' ' ' GLY . . . . . 1.086 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.89 0.42 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 692' ' ' ALA . . . . . 0.593 ' HB1' ' CD1' ' C' ' 672' ' ' LEU . . . 24.17 18.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 693' ' ' ASP . . . . . 1.086 ' N ' ' O ' ' C' ' 691' ' ' GLY . 88.0 m-20 33.2 -128.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -152.44 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.652 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 5.6 m -156.54 73.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 14.6 p -93.47 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -140.17 23.53 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.82 20.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 699' ' ' PRO . . . . . 0.647 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 77.8 Cg_exo -44.85 -27.72 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.824 2.349 . . . . 0.0 112.136 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 700' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 31.1 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 701' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.4 89.13 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.1 tt -53.86 -66.65 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.626 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 81.6 p 16.13 -95.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 704' ' ' ALA . . . . . 0.619 ' HB3' HD23 ' C' ' 717' ' ' LEU . . . -106.64 -18.61 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 705' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.2 tt -62.88 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -80.72 15.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 708' ' ' THR . . . . . 0.627 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.5 m -139.83 -142.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.583 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 709' ' ' ASP . . . . . 0.627 ' H ' HG22 ' C' ' 708' ' ' THR . 24.0 t70 -148.82 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -72.52 151.81 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.56 -20.46 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.38 3.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 713' ' ' ILE . . . . . 0.506 ' O ' HD13 ' C' ' 713' ' ' ILE . 0.3 OUTLIER -69.97 -37.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 714' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' C' ' 713' ' ' ILE . 30.2 ttmt -51.98 -30.01 23.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 716' ' ' LEU . . . . . 1.039 ' O ' ' HB3' ' C' ' 717' ' ' LEU . 1.1 tt -161.13 98.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 717' ' ' LEU . . . . . 1.039 ' HB3' ' O ' ' C' ' 716' ' ' LEU . 0.3 OUTLIER 124.15 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 718' ' ' GLN . . . . . 0.952 ' N ' HD12 ' C' ' 717' ' ' LEU . 11.9 pt20 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.621 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 8' ' ' VAL . 12.7 p -54.11 94.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -45.9 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.9 m-20 -64.91 -33.64 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -60.46 -39.34 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.55 -41.0 84.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.73 -35.89 82.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 10' ' ' ASP . 79.6 t -65.24 -43.79 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HE ' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.51 -39.75 92.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -47.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.448 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.574 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.93 -41.31 91.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.17 -44.9 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.47 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -76.01 8.43 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.1 m80 -123.71 15.34 9.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.5 146.96 81.55 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 12.7 Cg_exo -68.2 167.47 21.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.016 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.89 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.734 2.289 . . . . 0.0 112.12 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.09 21.56 35.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -149.37 37.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.536 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.94 -48.86 27.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.02 -57.38 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 43.9 mp0 -44.46 -54.51 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.0 t -60.79 -42.5 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 89.9 t80 -59.17 -50.88 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.09 -37.89 81.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.646 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.12 -42.05 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 32' ' ' VAL . 85.6 t -67.07 -41.83 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.6 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -56.39 -54.78 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.414 HD22 ' SG ' ' B' ' 308' ' ' CYS . 9.8 mp -59.32 -34.72 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.7 mt -73.27 -49.76 25.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD12 HD22 ' B' ' 331' ' ' LEU . 13.8 tp -61.76 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.475 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 66.4 t30 46.64 49.65 13.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.475 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 71.8 m-20 -168.62 79.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.9 -37.9 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -54.18 -44.16 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.26 -30.89 54.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 38.7 tp -62.68 -38.77 91.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.18 -35.58 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' OE1' HG21 ' A' ' 14' ' ' VAL . 77.1 tt0 -40.89 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.95 48.75 0.91 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -87.15 -56.79 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.614 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.53 87.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -54.26 -37.04 64.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.584 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.49 -54.41 12.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.7 m-30 -46.5 -56.61 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' ALA . 90.4 mm-40 -33.55 -45.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.03 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.0 -30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 81.8 mtp -68.84 -66.59 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.84 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 16.1 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.2 m-30 23.92 44.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.4 m -58.88 111.39 3.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.634 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.65 115.16 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.924 2.416 . . . . 0.0 112.196 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.648 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.8 p -109.39 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.648 ' N ' HG22 ' A' ' 65' ' ' VAL . 52.3 mttp -125.19 104.0 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.662 ' O ' ' C ' ' A' ' 68' ' ' GLU . 49.8 mt -51.63 148.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.662 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.5 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.1 m-85 -137.47 14.73 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.613 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 70' ' ' TYR . 96.9 m-20 20.19 39.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.519 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 1.071 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.4 t0 -98.75 19.45 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.701 ' C ' ' O ' ' A' ' 72' ' ' ASP . 0.9 OUTLIER -0.23 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.071 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.92 173.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.722 ' N ' HG22 ' A' ' 74' ' ' VAL . 54.8 mt -113.37 152.33 30.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -104.08 105.53 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.6 p -130.19 -176.89 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -78.82 -31.29 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -63.98 -23.57 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.18 15.62 50.67 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.46 100.07 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 tp -49.67 -51.5 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.69 25.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -116.14 1.27 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.83 9.33 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.618 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.33 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.562 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.523 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 52.4 m-85 -114.56 -170.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.8 tp -118.24 157.36 27.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.705 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 62.0 t0 -139.32 88.98 12.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.45 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.681 ' O ' ' NH1' ' A' ' 121' ' ' ARG . 11.2 Cg_endo -61.01 -36.64 81.67 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.855 2.37 . . . . 0.0 112.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.47 -75.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.455 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -76.48 -20.35 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 42.2 mttt 62.76 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.509 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 10.6 pt -146.45 154.46 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.819 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.6 t -92.68 133.0 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 30.1 p90 -140.11 136.65 33.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 59.9 tttm -88.7 113.45 24.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.876 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.4 t80 -82.73 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 102' ' ' ARG . 33.1 t0 -104.54 90.12 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -36.41 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.8 tp -47.44 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' A' ' 99' ' ' ASP . 8.9 tpp180 -52.78 156.37 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -88.94 2.31 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.876 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -95.54 -164.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.449 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 2.0 m-20 73.78 54.52 0.28 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.819 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.5 Cg_endo -73.51 -177.83 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.83 2.353 . . . . 0.0 112.068 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.812 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.1 OUTLIER -160.11 124.55 2.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.14 131.03 17.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.832 2.355 . . . . 0.0 112.052 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -122.92 102.51 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.9 p-10 -75.55 88.47 2.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.555 ' OG1' ' NZ ' ' A' ' 118' ' ' LYS . 15.6 p -46.93 164.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.9 35.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.81 -59.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.07 3.35 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.555 ' NZ ' ' OG1' ' A' ' 113' ' ' THR . 37.8 ttmt -54.03 -41.85 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 118' ' ' LYS . 74.0 mt-30 -39.25 -55.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -62.52 -47.64 83.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.844 ' HE ' ' N ' ' A' ' 122' ' ' ASP . 5.6 ttp180 -53.88 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.844 ' N ' ' HE ' ' A' ' 121' ' ' ARG . 66.2 t0 -25.45 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.11 -48.56 61.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.449 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 36.4 t70 -40.46 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -48.03 -46.11 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.498 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.36 -51.44 34.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.507 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.78 -12.24 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.614 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.79 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.65 -39.2 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.579 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 21.0 t80 -54.79 -38.8 67.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 134' ' ' ASP . 97.7 t -74.74 -40.53 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.456 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 28.4 tptt -76.16 25.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.541 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.7 m-20 -147.51 7.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.54 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.622 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 93.5 m-70 -151.01 -21.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.57 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 5.3 m-85 -114.65 106.5 52.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.589 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.8 Cg_exo -51.61 -57.23 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.773 2.315 . . . . 0.0 112.021 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -127.52 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.65 12.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 75' ' ' LEU . 47.2 m-85 -135.06 158.12 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.765 0.317 . . . . 0.0 110.582 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 86.7 m -161.4 97.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.532 HG12 ' HG3' ' A' ' 121' ' ' ARG . 43.1 t -75.72 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.63 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 92.8 m-85 -120.21 124.32 45.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.75 84.5 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.473 ' HG3' ' H ' ' A' ' 147' ' ' SER . 20.5 tptt -123.79 167.31 14.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.512 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.473 ' H ' ' HG3' ' A' ' 146' ' ' LYS . 54.0 p -107.51 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.2 104.13 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 42.4 t0 46.65 54.18 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.77 4.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.73 129.8 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.319 . . . . 0.0 110.684 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.649 ' H ' HG21 ' A' ' 181' ' ' ILE . 82.5 mm-40 -85.76 150.51 24.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.986 HG23 ' C ' ' A' ' 179' ' ' PHE . 87.3 m -155.28 146.22 22.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' A' ' 179' ' ' PHE . 4.8 mp -108.53 110.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.63 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 19.8 mm -98.06 117.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.91 116.09 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.252 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 95.9 m -106.17 135.47 47.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.3 mt -122.76 137.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.213 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.6 tm-20 -131.3 151.91 51.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.029 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.183 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 0.5 OUTLIER -140.63 170.6 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.958 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -148.61 77.85 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.248 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -65.4 147.48 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.951 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.637 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 3.1 tp-100 -168.0 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.68 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.5 Cg_endo -60.69 -52.12 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.459 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.68 ' N ' ' O ' ' A' ' 165' ' ' PRO . 97.8 m-20 -121.94 -10.46 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.828 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 48.6 m-85 70.04 80.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.828 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 16.1 p-90 158.82 127.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.742 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -136.03 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.361 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 41.4 ttm180 -165.72 136.64 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' TRP . . . . . 0.734 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.0 t-105 -107.55 138.87 42.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.486 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.3 mtm180 -125.35 152.28 44.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -166.31 111.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.033 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.639 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 81.5 tt0 -116.42 124.72 50.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.094 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.663 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.4 m95 -120.57 116.92 26.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -98.62 119.83 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.986 ' C ' HG23 ' A' ' 153' ' ' THR . 35.8 m-85 -117.51 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.71 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.915 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.7 m -50.08 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ILE . . . . . 0.794 ' O ' HG23 ' A' ' 182' ' ' THR . 9.8 tp -164.31 151.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.661 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.928 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.78 61.45 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 1.072 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 90.3 Cg_exo -34.41 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.82 0 C-N-CA 123.481 2.787 . . . . 0.0 112.661 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' PRO . . . . . 0.928 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.6 Cg_endo -79.8 -4.32 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.851 2.367 . . . . 0.0 112.144 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' THR . . . . . 1.045 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.32 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.22 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.155 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.79 131.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 1.135 ' O ' HG23 ' A' ' 188' ' ' VAL . 86.9 mt-30 -106.75 -114.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.235 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.135 HG23 ' O ' ' A' ' 187' ' ' GLN . 6.5 t 145.63 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.674 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.738 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.83 111.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.365 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 191' ' ' VAL . 2.8 p -165.78 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.507 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 192' ' ' LEU . . . . . 0.531 HD22 ' OE1' ' A' ' 236' ' ' GLU . 18.6 mt -85.53 157.82 20.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -150.37 147.89 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' ILE . . . . . 0.692 HD11 ' CH2' ' A' ' 173' ' ' TRP . 29.5 mt -149.45 134.05 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.26 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.567 ' NE2' ' OE1' ' A' ' 205' ' ' GLN . 60.6 tt0 -142.32 130.28 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.947 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 47.1 t -132.66 136.66 55.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' HIS . . . . . 0.764 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 10.7 t-80 -126.55 141.61 51.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.933 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 198' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 48.3 t80 -145.58 87.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.4 t80 -100.08 87.74 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 200' ' ' GLU . . . . . 0.797 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.0 tt0 -129.48 52.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.346 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ASP . . . . . 0.797 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.7 t0 114.8 2.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.422 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.72 -129.12 1.08 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -172.8 99.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.09 129.19 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 3.7 tt0 -136.84 154.15 50.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.8 tt -122.25 87.2 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 207' ' ' VAL . . . . . 0.569 ' CG2' ' NE2' ' A' ' 205' ' ' GLN . 12.2 t -90.1 122.25 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 19.8 m -149.55 147.25 27.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -157.85 145.15 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 51.1 tttp -135.49 129.03 32.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.885 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.1 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.0 tt -127.1 154.89 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -150.2 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.285 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 214' ' ' ASP . . . . . 0.643 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.9 t0 -118.84 166.11 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 215' ' ' SER . . . . . 1.059 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 70.7 m -117.84 103.41 9.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.429 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 216' ' ' VAL . . . . . 1.155 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 53.2 t -91.93 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.666 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 217' ' ' GLN . . . . . 1.045 ' HA ' ' O ' ' A' ' 185' ' ' THR . 4.2 mp0 -102.65 128.05 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 1.076 HG23 ' HB2' ' A' ' 186' ' ' ALA . 75.6 t -86.03 137.56 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 42.7 t -131.03 -99.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.3 t -100.2 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -86.8 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 81.7 t -70.06 -24.7 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -73.97 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.459 HG22 ' CE2' ' A' ' 228' ' ' PHE . 24.9 m -54.63 -36.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 225' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.57 -57.08 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -57.11 -30.52 64.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.391 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 231' ' ' ILE . 94.6 mt-10 -67.6 -38.77 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 224' ' ' THR . 14.6 m-85 -67.77 -53.95 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 229' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.9 mm -52.13 -27.34 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.387 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -74.87 -36.71 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.326 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 231' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 227' ' ' GLU . 1.3 mp -67.56 -41.17 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 232' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 177' ' ' TRP . 54.0 mt -70.02 -44.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.428 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.08 -46.97 82.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -69.64 -43.93 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.12 -51.96 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.416 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 236' ' ' GLU . . . . . 0.531 ' OE1' HD22 ' A' ' 192' ' ' LEU . 10.4 tp10 -60.18 -44.13 95.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.437 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 237' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -60.03 -40.22 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.46 -44.39 74.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 240' ' ' GLN . . . . . 0.546 ' O ' ' NE2' ' A' ' 240' ' ' GLN . 2.1 tm0? -68.23 -38.95 82.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 19.7 m -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.67 71.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 243' ' ' ILE . . . . . 0.405 ' CD1' HD12 ' A' ' 194' ' ' ILE . 50.4 mt -69.16 -47.55 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.69 -34.18 73.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.93 -42.89 84.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 246' ' ' ASN . . . . . 0.543 HD22 ' CB ' ' B' ' 484' ' ' SER . 31.9 m-20 -62.16 -34.57 76.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 247' ' ' TYR . . . . . 0.539 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.4 OUTLIER -64.94 -31.93 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -73.19 -50.84 20.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 249' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 253' ' ' THR . 16.0 m -64.84 -34.83 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 37.0 mtt -72.83 -14.54 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.9 p -112.94 -10.17 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 252' ' ' ASP . . . . . 0.888 ' O ' ' OG1' ' A' ' 253' ' ' THR . 65.4 t0 -132.09 47.77 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 253' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 29.7 m 175.7 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 254' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 15.1 m -53.57 -61.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -47.69 -57.58 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.14 -11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.531 ' HB2' HH22 ' C' ' 636' ' ' ARG . . . -87.24 -18.24 30.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -78.02 -91.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 259' ' ' ARG . . . . . 0.497 ' HD2' ' CH2' ' B' ' 448' ' ' TRP . 15.0 ptm180 -98.67 174.46 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 260' ' ' ARG . . . . . 0.53 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 11.8 mmm180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -83.73 -11.24 57.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.444 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 262' ' ' LEU . 1.2 pp -163.63 133.26 3.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 263' ' ' PRO . . . . . 0.727 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.3 Cg_exo -43.93 135.45 7.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.88 2.387 . . . . 0.0 112.022 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 264' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 265' ' ' THR . 5.0 m -37.84 -38.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 265' ' ' THR . . . . . 0.466 ' N ' HG23 ' A' ' 264' ' ' VAL . 4.2 m -64.2 -5.41 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 266' ' ' ARG . . . . . 0.68 ' N ' ' O ' ' A' ' 263' ' ' PRO . 68.3 ttt180 54.11 55.59 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.2 t 173.29 114.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.9 mttt -16.86 131.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 269' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 9.8 tt -50.26 158.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.802 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.5 OUTLIER -117.13 58.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 271' ' ' TRP . . . . . 0.592 ' C ' ' O ' ' A' ' 270' ' ' ASP . 80.3 m95 -21.42 -55.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 272' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 270' ' ' ASP . 65.5 m-20 -44.52 -25.63 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 273' ' ' LYS . . . . . 1.241 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 97.9 mttt -99.94 -7.72 24.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.65 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 274' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 274' ' ' ILE . 2.0 mp -103.17 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 275' ' ' LEU . . . . . 0.724 ' O ' ' CB ' ' A' ' 276' ' ' SER . 74.2 mt -111.1 44.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 276' ' ' SER . . . . . 1.32 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.2 p 141.92 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 1.241 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.2 t80 -30.97 43.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 278' ' ' LYS . . . . . 1.32 ' N ' ' O ' ' A' ' 276' ' ' SER . 35.7 ttmt -107.72 80.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 1.079 ' O ' ' O ' ' A' ' 280' ' ' GLY . 15.9 mm 54.22 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 1.079 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 24.4 pttm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.515 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 302' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 13.2 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -42.81 -51.24 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 304' ' ' GLN . . . . . 0.508 ' H ' ' CD ' ' B' ' 304' ' ' GLN . 27.3 mp0 -55.34 -34.11 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 302' ' ' SER . 85.4 mt-30 -60.74 -49.1 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.406 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.26 -40.62 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.93 -40.84 95.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 308' ' ' CYS . . . . . 0.414 ' SG ' HD22 ' A' ' 38' ' ' LEU . 95.9 m -68.09 -37.19 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.389 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.716 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.18 -42.12 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' B' ' 315' ' ' ARG . 43.7 t0 -68.27 -33.65 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.79 -43.7 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.421 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.3 mmm -64.39 -25.67 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.3 -12.32 58.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 315' ' ' ARG . . . . . 0.603 HH11 ' HG2' ' B' ' 315' ' ' ARG . 12.0 mmt-85 -100.07 -46.93 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.57 147.7 95.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.6 128.45 21.0 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.783 2.322 . . . . 0.0 112.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 318' ' ' PRO . . . . . 0.484 ' HA ' HG12 ' B' ' 321' ' ' ILE . 42.2 Cg_endo -71.52 -3.98 14.1 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.89 2.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -80.64 -17.84 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -123.89 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 321' ' ' ILE . . . . . 0.484 HG12 ' HA ' ' B' ' 318' ' ' PRO . 4.6 mm -63.4 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.71 -60.84 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.524 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -54.59 -54.42 41.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -54.67 -55.75 26.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 38.3 tp -47.16 -48.95 23.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.43 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.05 -49.72 74.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.444 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.33 -40.75 97.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.459 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 328' ' ' LEU . . . . . 0.716 HD21 ' HB1' ' B' ' 309' ' ' ALA . 52.6 tp -55.52 -41.09 72.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.451 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -41.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.388 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -38.02 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 331' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.1 mt -71.22 -29.05 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.58 84.61 9.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.432 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.09 -5.56 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.701 2.267 . . . . 0.0 112.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.37 -6.41 56.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 78.8 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 336' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.9 p -64.04 -55.92 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.581 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 10.7 tm-20 -60.28 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.73 -36.13 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.532 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 339' ' ' LEU . . . . . 0.43 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 66.5 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 340' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 33.7 mt -81.51 12.42 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 63.3 p -144.13 -3.65 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.6 m -119.36 -15.49 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.88 120.07 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.456 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -87.83 128.63 35.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.436 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 3.5 pt20 -129.35 165.89 29.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 346' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 81.0 Cg_exo -44.41 125.32 5.87 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.829 2.353 . . . . 0.0 112.08 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 347' ' ' LEU . . . . . 0.479 HD21 HD11 ' B' ' 451' ' ' ILE . 95.4 mt -66.8 122.54 17.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -88.62 148.79 23.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.389 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.2 tt -102.96 136.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' ALA . . . . . 0.729 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.62 157.64 33.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.485 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -114.31 143.32 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 56.3 t0 -111.93 81.36 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 353' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.1 mttp -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.609 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 94.5 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.5 t -92.98 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.7 70.54 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 45.0 mmtm -115.11 154.91 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 358' ' ' ASP . . . . . 0.729 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 35.8 p30 -94.77 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.623 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 31.3 p90 -139.68 135.75 33.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.2 156.63 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.1 mt -108.55 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 362' ' ' CYS . . . . . 0.436 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 26.6 p -168.2 168.59 11.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 363' ' ' ASP . . . . . 0.644 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.4 -10.35 59.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 364' ' ' TYR . . . . . 0.483 ' HB2' HG11 ' B' ' 431' ' ' VAL . 96.0 m-85 -88.38 -18.17 28.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 365' ' ' ASN . . . . . 0.436 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 11.5 p-10 -123.22 24.73 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 366' ' ' ARG . . . . . 0.564 HH22 HD22 ' B' ' 340' ' ' LEU . 46.8 ttp180 -119.99 129.83 54.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.15 99.47 6.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -126.27 8.69 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 370' ' ' SER . . . . . 1.006 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 82.5 p -122.33 161.32 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 371' ' ' TYR . . . . . 1.103 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 1.6 m-85 -118.3 150.78 38.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -98.77 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 373' ' ' SER . . . . . 0.586 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 98.6 p -79.57 133.8 58.87 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 374' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 3.3 Cg_exo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.848 2.365 . . . . 0.0 112.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -85.94 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 31.3 t -83.15 -18.63 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 377' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' B' ' 373' ' ' SER . 2.7 t-20 70.28 40.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -141.53 137.92 32.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 379' ' ' TYR . . . . . 1.103 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.1 OUTLIER -65.77 140.41 58.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 380' ' ' ASP . . . . . 0.767 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.95 -60.41 6.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 1.006 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.48 120.04 7.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 123.022 2.482 . . . . 0.0 112.299 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -41.56 79.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.949 2.433 . . . . 0.0 112.308 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.778 ' HB3' ' CE1' ' B' ' 379' ' ' TYR . 1.1 tp -84.56 177.59 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.97 65.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 386' ' ' GLY . . . . . 0.76 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.21 151.75 47.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -64.01 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.796 0.331 . . . . 0.0 110.555 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -132.26 148.58 70.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.98 150.75 49.31 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.782 2.321 . . . . 0.0 112.15 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.71 142.93 17.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.6 -43.79 5.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -67.9 -37.77 82.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.93 -42.47 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -55.32 -36.8 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.47 -46.65 85.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.337 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.38 -31.99 73.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.328 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -67.77 -38.07 82.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.372 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.06 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.397 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.74 -36.96 79.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.358 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.84 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 58.4 m-80 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 402' ' ' ASN . . . . . 0.456 ' O ' ' NE2' ' B' ' 406' ' ' GLN . 27.8 t-20 -72.13 -40.4 68.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.36 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.99 78.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.387 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.27 -29.25 67.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 32.8 m-20 -54.64 -38.81 67.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 406' ' ' GLN . . . . . 0.578 ' O ' HD13 ' B' ' 410' ' ' LEU . 1.0 OUTLIER -77.04 -32.92 57.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -69.76 -18.61 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 408' ' ' ARG . . . . . 0.574 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.1 ttp180 -83.81 -35.54 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 409' ' ' ASP . . . . . 0.542 ' OD2' ' NZ ' ' C' ' 604' ' ' LYS . 16.8 t70 -85.18 -8.9 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 410' ' ' LEU . . . . . 0.679 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 4.8 mp -95.83 -17.88 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.571 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 411' ' ' TYR . . . . . 0.727 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.01 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.55 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 73.1 m-85 -100.65 -25.92 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 413' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.9 mt-10 63.5 24.39 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.51 25.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 415' ' ' GLY . . . . . 0.574 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.37 -163.48 52.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.479 ' HA ' HH11 ' B' ' 408' ' ' ARG . 20.9 t -128.64 153.72 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 37.7 t -143.58 148.52 36.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.2 t -148.17 143.95 27.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.87 130.25 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.545 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 53.8 t80 -128.48 132.47 48.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.313 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.68 158.35 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.749 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 422' ' ' TRP . . . . . 0.936 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.9 p-90 -154.45 110.6 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -43.06 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 424' ' ' LEU . . . . . 0.467 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 2.6 tp -127.86 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 425' ' ' ASP . . . . . 0.467 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 64.4 t0 -87.32 -49.85 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -129.79 30.77 4.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.62 2.56 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.72 154.07 4.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.741 0.305 . . . . 0.0 110.577 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 429' ' ' ALA . . . . . 0.936 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -123.97 172.83 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.64 34.99 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 431' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.04 126.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.32 113.69 40.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' B' ' 450' ' ' SER . 46.5 mt -102.83 143.14 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 434' ' ' ILE . . . . . 0.592 ' HB ' ' HB3' ' B' ' 450' ' ' SER . 30.4 mt -148.73 119.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -122.51 127.55 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 436' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.18 119.58 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.88 138.2 40.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.13 179.48 45.29 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -50.68 128.03 19.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 110.557 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.6 9.76 75.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 441' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' C' ' 677' ' ' TYR . 3.7 p -110.43 -4.24 15.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.576 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -89.25 153.89 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 443' ' ' LYS . . . . . 0.615 ' H ' ' CD ' ' B' ' 443' ' ' LYS . 7.1 mptt -56.89 -43.84 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 65.1 mt -95.07 135.92 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.752 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.75 154.75 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.7 152.45 24.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.1 m -149.51 130.7 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 448' ' ' TRP . . . . . 0.543 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.6 t-105 -114.83 116.26 28.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -109.54 127.18 54.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 450' ' ' SER . . . . . 0.592 ' HB3' ' HB ' ' B' ' 434' ' ' ILE . 0.6 OUTLIER -115.93 122.74 46.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 451' ' ' ILE . . . . . 0.479 HD11 HD21 ' B' ' 347' ' ' LEU . 51.3 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.206 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 452' ' ' HIS . . . . . 0.534 ' NE2' ' OE2' ' B' ' 521' ' ' GLU . 1.4 m170 -108.63 132.41 53.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.862 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.69 95.59 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.281 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.7 p -96.65 153.6 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -131.83 102.23 5.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.312 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 456' ' ' VAL . . . . . 0.429 HG22 ' CE2' ' B' ' 467' ' ' TYR . 61.4 t -79.08 139.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -123.51 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.476 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 458' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 84.2 tt0 -40.3 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.664 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 459' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' B' ' 464' ' ' THR . 52.6 mttp -109.33 141.97 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -48.99 -54.14 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 54.3 p -126.75 146.54 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 462' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.08 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 59.15 -0.17 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.542 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.599 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 0.2 OUTLIER -82.29 123.68 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.419 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 465' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.75 151.86 33.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.9 126.58 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 467' ' ' TYR . . . . . 0.429 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.6 m-85 -103.17 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -135.84 86.1 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.186 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 469' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' B' ' 470' ' ' THR . 0.5 OUTLIER -82.09 157.54 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.505 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 470' ' ' THR . . . . . 0.401 ' H ' ' HG ' ' B' ' 469' ' ' LEU . 19.1 m -157.86 62.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.06 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 471' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.3 p -64.61 174.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.152 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 472' ' ' THR . . . . . 0.479 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.76 87.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.151 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 473' ' ' VAL . . . . . 0.47 HG11 ' CH2' ' B' ' 448' ' ' TRP . 88.3 t -69.74 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 474' ' ' MET . . . . . 0.452 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 3.0 ttt -124.74 96.02 4.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.13 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 475' ' ' LEU . . . . . 0.732 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.9 OUTLIER -86.69 131.12 34.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.594 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 476' ' ' TRP . . . . . 0.732 ' N ' HD23 ' B' ' 475' ' ' LEU . 3.6 t-105 -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.254 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.3 mt -137.3 124.67 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 478' ' ' GLN . . . . . 0.524 ' CD ' HD22 ' B' ' 488' ' ' ASN . 19.6 tt0 -138.2 158.17 44.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.471 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 479' ' ' THR . . . . . 0.508 HG23 ' O ' ' B' ' 479' ' ' THR . 10.5 t -163.46 127.43 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.643 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 480' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.21 73.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 9.1 mtmp? -107.58 146.67 31.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 482' ' ' THR . . . . . 0.549 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.5 m -57.29 -45.95 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.69 -25.22 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 484' ' ' SER . . . . . 0.543 ' CB ' HD22 ' A' ' 246' ' ' ASN . 7.5 t -125.97 14.91 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.547 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 486' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.1 m -126.1 113.96 17.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.47 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 487' ' ' MET . . . . . 0.421 ' HB3' HG22 ' B' ' 479' ' ' THR . 6.0 ttp -125.12 118.04 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 488' ' ' ASN . . . . . 0.524 HD22 ' CD ' ' B' ' 478' ' ' GLN . 22.6 m120 -118.95 123.98 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 489' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.8 tp -131.67 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.44 -163.82 21.76 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 491' ' ' GLY . . . . . 0.635 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.88 -142.61 11.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 492' ' ' SER . . . . . 0.635 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 76.4 p 163.2 135.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.52 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 493' ' ' LEU . . . . . 0.545 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 494' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 58.1 m -127.1 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.504 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -150.02 128.72 12.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.82 160.56 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 26.6 ttt -160.06 130.48 5.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.617 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -133.54 141.59 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -172.21 145.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 45.2 p-10 -91.26 125.21 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -120.71 160.16 23.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.6 m -94.27 131.84 39.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.64 122.45 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -142.97 -177.27 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.94 -35.8 77.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.69 -19.79 34.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 17.8 t -135.5 73.42 62.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.56 -172.57 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.807 2.338 . . . . 0.0 112.145 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -58.81 -62.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 71.4 mt -42.75 -48.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.18 72.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -48.18 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.01 -33.65 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.55 74.27 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -57.36 -44.33 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.75 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.14 -52.53 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.623 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 517' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' B' ' 521' ' ' GLU . 60.8 t -55.47 -47.24 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -57.89 -51.72 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -63.47 -37.54 87.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 2.3 tpt -64.39 -49.43 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 521' ' ' GLU . . . . . 0.534 ' OE2' ' NE2' ' B' ' 452' ' ' HIS . 1.7 mp0 -62.58 -45.27 93.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.713 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.92 -41.44 78.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.75 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.45 -24.37 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 525' ' ' ARG . . . . . 0.529 ' HG2' HH11 ' B' ' 525' ' ' ARG . 33.6 ttt-85 -68.72 -27.67 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -84.97 -38.74 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 73.1 p -66.06 -35.82 81.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 63.1 mt -64.94 -42.31 94.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.71 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.57 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.8 mt-10 -74.4 -54.4 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.644 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.43 -61.47 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 532' ' ' TYR . . . . . 0.686 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.9 m-85 -50.29 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 533' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.8 40.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.559 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' B' ' 536' ' ' THR . 0.8 OUTLIER -56.89 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 110.503 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.647 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 43.7 p -34.77 -57.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -50.44 -53.23 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -53.2 -44.93 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 539' ' ' ILE . . . . . 0.619 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 33.7 mm -61.73 -36.04 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.44 -42.01 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -69.76 -17.13 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.34 48.01 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.6 mt -68.13 -51.4 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.475 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 544' ' ' ARG . . . . . 0.796 ' HG2' ' H ' ' B' ' 545' ' ' SER . 2.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.652 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 545' ' ' SER . . . . . 0.796 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 38.5 t -142.18 137.86 31.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 546' ' ' ILE . . . . . 0.422 HD11 ' OE1' ' A' ' 240' ' ' GLN . 97.4 mt -69.1 -43.48 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -82.91 138.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 548' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.46 122.13 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.52 112.73 31.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.3 Cg_exo -46.61 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.852 2.368 . . . . 0.0 112.071 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.6 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 552' ' ' ASN . . . . . 0.44 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 10.2 p30 -129.91 116.19 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -85.27 -24.8 27.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.697 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.57 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -45.15 -56.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -57.55 -46.9 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.757 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.87 -29.64 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 60.0 tp -77.78 -30.37 51.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -73.5 -36.39 65.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 560' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' B' ' 560' ' ' ARG . 57.9 ttt-85 -58.21 -40.55 81.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 561' ' ' GLU . . . . . 0.552 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.0 mm-40 -67.79 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.727 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.897 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 58.9 tp -49.1 -40.69 33.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 68.0 m -61.18 -76.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 12.5 pt20 -36.68 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.897 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 18.1 t -72.12 -42.68 67.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.2 tp -81.46 -35.59 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 24.7 m -70.26 -19.62 63.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -117.53 6.65 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.98 -141.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.483 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.872 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 5.3 tt0 139.82 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 571' ' ' ILE . . . . . 0.872 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 55.6 mt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 79.0 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.3 m 62.12 5.94 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -49.86 -37.76 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 604' ' ' LYS . . . . . 0.542 ' NZ ' ' OD2' ' B' ' 409' ' ' ASP . 79.0 tttt -69.71 -52.23 27.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -55.07 -28.91 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -75.68 -53.61 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 607' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' C' ' 607' ' ' MET . 6.8 tmm? -72.82 -36.82 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -56.75 -16.04 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.606 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 609' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.39 -50.67 13.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.639 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 610' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' C' ' 610' ' ' LEU . 4.0 mt -66.28 1.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 611' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.3 tttm -102.07 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -70.36 -4.27 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 613' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.04 21.85 58.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 614' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.8 m-20 -63.83 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 615' ' ' LEU . . . . . 0.94 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.8 tm? -44.99 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 616' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' C' ' 614' ' ' ASP . 62.5 m-20 -77.75 -27.51 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 617' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.52 -49.85 10.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 618' ' ' VAL . . . . . 0.604 HG21 HD22 ' C' ' 654' ' ' LEU . 10.7 p -62.81 -28.42 44.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 619' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.3 tttp -66.22 -21.88 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 620' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.0 t0 -75.33 -45.39 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 14.6 t -57.73 -27.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 623' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.75 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -64.82 -76.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 625' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.9 82.37 0.1 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 626' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.9 pt-20 34.23 95.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 627' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 96.9 m-20 -140.98 62.66 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.654 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 628' ' ' VAL . . . . . 0.52 HG21 ' H ' ' C' ' 658' ' ' GLY . 3.3 m -121.94 76.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.536 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 629' ' ' ASN . . . . . 0.426 ' H ' ' H ' ' C' ' 630' ' ' ARG . 35.8 t30 -173.0 5.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 630' ' ' ARG . . . . . 0.664 HH11 ' CG ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.09 166.85 21.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 631' ' ' THR . . . . . 0.504 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.2 OUTLIER -82.03 87.64 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 632' ' ' LEU . . . . . 0.504 ' C ' ' O ' ' C' ' 631' ' ' THR . 43.8 tp -31.32 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.527 ' OE2' ' NH1' ' A' ' 260' ' ' ARG . 11.6 tp10 -71.7 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.68 -11.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 635' ' ' GLY . . . . . 0.523 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.47 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 636' ' ' ARG . . . . . 0.635 HH21 ' CG2' ' A' ' 253' ' ' THR . 99.1 mtt180 -127.92 164.9 21.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 637' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' C' ' 639' ' ' LEU . 11.3 mmtp -108.41 156.99 37.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 638' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 57.0 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.805 2.337 . . . . 0.0 112.136 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 639' ' ' LEU . . . . . 0.555 HD11 HD13 ' C' ' 655' ' ' LEU . 0.6 OUTLIER -117.68 -16.31 10.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -75.23 -43.87 49.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.64 -36.03 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.92 -44.92 75.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.47 62.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD1' ' OE2' ' C' ' 678' ' ' GLU . 4.8 t70 -60.64 -35.7 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 645' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 38.5 t -160.87 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.02 34.11 4.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 647' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 88.0 mt-30 51.66 4.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.523 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 648' ' ' LEU . . . . . 0.944 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.57 7.02 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -115.8 -12.54 11.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 650' ' ' ILE . . . . . 0.553 ' CG2' HD21 ' C' ' 654' ' ' LEU . 1.0 OUTLIER -87.58 -36.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.599 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 1.082 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.33 -52.93 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 652' ' ' GLU . . . . . 0.785 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 56.8 mm-40 -56.13 -22.61 29.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 653' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.0 OUTLIER -75.88 -97.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 654' ' ' LEU . . . . . 0.851 HD23 ' H ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.38 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 655' ' ' LEU . . . . . 0.98 ' N ' ' O ' ' C' ' 653' ' ' PHE . 57.9 tp -102.93 -47.91 4.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.22 -25.37 63.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.82 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 658' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.38 -109.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 659' ' ' ALA . . . . . 0.713 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.1 33.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.524 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 660' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.8 m-20 -57.36 10.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 661' ' ' ILE . . . . . 0.713 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.8 tt -65.98 1.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 662' ' ' ASN . . . . . 1.1 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.3 m-20 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.13 -33.65 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 664' ' ' PRO . . . . . 1.1 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.7 Cg_exo -46.93 120.82 4.44 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.889 2.393 . . . . 0.0 112.14 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -125.88 -50.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -78.84 -16.13 57.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 667' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.4 m80 -80.53 -6.23 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 40.52 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 669' ' ' ILE . . . . . 0.445 HG22 ' O ' ' C' ' 667' ' ' HIS . 10.7 tt -176.86 147.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 670' ' ' THR . . . . . 0.407 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.7 10.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 671' ' ' PRO . . . . . 0.494 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.48 -30.52 12.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.824 2.349 . . . . 0.0 112.122 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.744 HD23 ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.39 -49.01 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 673' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 15.8 mt -67.87 -27.85 67.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 674' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 17.2 p -51.76 -40.87 61.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.517 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 675' ' ' ALA . . . . . 0.42 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.54 -30.07 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 676' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 10.8 t -47.17 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 677' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' B' ' 441' ' ' SER . 0.3 OUTLIER -77.83 39.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 678' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' C' ' 644' ' ' ASP . 37.0 tp10 -124.52 -28.65 3.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.21 -11.33 72.37 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 19.3 m170 -71.94 -53.51 12.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 681' ' ' VAL . . . . . 0.775 ' O ' HG22 ' C' ' 684' ' ' VAL . 9.2 m 43.27 -4.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.628 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.42 -24.26 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -48.67 6.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 684' ' ' VAL . . . . . 0.775 HG22 ' O ' ' C' ' 681' ' ' VAL . 4.0 m -41.91 -34.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 685' ' ' LYS . . . . . 0.826 ' O ' HD12 ' C' ' 688' ' ' LEU . 63.8 tttm -62.56 -73.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 686' ' ' LEU . . . . . 0.502 ' N ' HD22 ' C' ' 686' ' ' LEU . 4.4 mm? -62.95 1.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 687' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' C' ' 685' ' ' LYS . 28.8 tp -81.9 -70.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 688' ' ' LEU . . . . . 1.337 HD13 ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.72 -21.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.512 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 689' ' ' SER . . . . . 1.337 ' N ' HD13 ' C' ' 688' ' ' LEU . 6.6 m -55.75 -21.54 19.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.604 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -99.62 -6.27 27.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 692' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.0 t0 33.11 -128.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -152.52 -23.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 28.8 m -156.57 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.593 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.41 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -140.13 23.53 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.67 142.77 20.36 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 699' ' ' PRO . . . . . 0.71 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.82 -27.75 2.59 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.815 2.343 . . . . 0.0 112.155 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 700' ' ' ASP . . . . . 0.71 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 31.2 m-20 157.74 -112.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 701' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.76 0.33 89.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 702' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.5 tt -53.89 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 703' ' ' THR . . . . . 0.885 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 92.5 m 16.26 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 704' ' ' ALA . . . . . 0.549 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 705' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.7 tp -62.88 -75.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.74 15.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 707' ' ' ALA . . . . . 0.885 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.44 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 708' ' ' THR . . . . . 0.604 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.4 m -139.83 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.62 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 709' ' ' ASP . . . . . 0.604 ' H ' HG22 ' C' ' 708' ' ' THR . 53.2 p-10 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.562 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -72.55 151.89 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -71.62 -20.46 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.23 -60.36 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -37.62 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -52.09 -29.93 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.16 14.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 716' ' ' LEU . . . . . 0.842 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.0 98.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 717' ' ' LEU . . . . . 0.842 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 19.0 mt 124.19 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 718' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' C' ' 717' ' ' LEU . 3.4 mt-30 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 8' ' ' VAL . 9.3 p -54.09 94.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -45.87 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.618 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' VAL . 97.9 m-20 -64.93 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.46 -39.27 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.0 mt-10 -67.6 -40.97 84.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.626 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -63.69 -35.84 81.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.4 t -65.29 -43.82 95.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.502 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.409 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.3 mtm180 -61.44 -39.78 92.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.734 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.37 -47.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.95 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.92 -41.34 91.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.16 -44.91 87.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.68 -46.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.9 p -75.97 8.44 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.74 15.34 9.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.99 81.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.5 Cg_endo -68.25 167.52 21.86 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.814 2.343 . . . . 0.0 112.08 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 48.4 Cg_endo -70.92 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.743 2.295 . . . . 0.0 112.093 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.12 21.49 35.47 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 42.1 mt-10 -149.34 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.87 -48.91 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -57.0 -57.43 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 44.1 mp0 -44.47 -54.44 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.1 t -60.86 -42.38 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 36.6 t80 -59.3 -50.82 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.05 -37.93 81.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.1 -42.05 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' VAL . 92.2 t -67.1 -41.81 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -56.36 -54.82 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -34.73 72.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.25 -49.75 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 tp -61.75 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 46.62 49.73 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 27.9 t-20 -168.7 79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -51.85 -37.92 53.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -54.18 -44.21 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.2 mt -77.25 -30.81 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.6 tp -62.77 -38.75 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.19 -35.54 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -40.9 -59.82 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.89 48.67 0.92 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.18 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.47 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.33 -36.94 64.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.37 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.54 -56.58 5.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.65 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.2 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.04 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -46.96 -30.91 2.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.3 ttp -68.92 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.534 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.4 p30 -67.84 10.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.9 mm-40 -124.61 24.75 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.91 44.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.49 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.2 m -58.81 111.35 3.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.603 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -75.73 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.858 2.372 . . . . 0.0 112.178 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.616 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.7 p -109.41 165.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.616 ' N ' HG22 ' A' ' 65' ' ' VAL . 87.1 tttt -125.14 103.95 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.9 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.641 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.9 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.1 tm-20 -13.21 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.584 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.52 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.09 0.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.787 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.48 14.77 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 70' ' ' TYR . 48.5 t0 20.13 39.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 1.059 ' O ' ' N ' ' A' ' 74' ' ' VAL . 30.8 t70 -98.83 19.37 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 71.6 mm-40 -0.19 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.059 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.718 ' N ' HG22 ' A' ' 74' ' ' VAL . 46.9 mt -113.35 152.26 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.3 mt -104.04 105.49 18.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 p -130.13 -176.88 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.82 -31.25 45.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' ' 155' ' ' ILE . 96.1 m-70 -63.95 -23.62 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.63 50.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -85.45 100.04 11.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 110.599 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.2 tp -49.64 -51.51 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.72 25.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.13 -15.73 9.37 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.672 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.4 168.73 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.372 . . . . 0.0 110.537 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 53.5 m-85 -114.54 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.856 HD23 ' H ' ' A' ' 89' ' ' ASP . 0.5 OUTLIER -118.28 157.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.856 ' H ' HD23 ' A' ' 88' ' ' LEU . 19.0 t0 -139.3 89.01 12.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.505 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.0 Cg_endo -60.97 -36.73 81.5 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.916 2.41 . . . . 0.0 111.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.582 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 6.1 ttp180 -59.47 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.664 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.6 t-20 -76.51 -20.38 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.1 mtmp? 62.78 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.661 HD13 ' OD1' ' A' ' 92' ' ' ASN . 23.6 pt -146.43 154.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.83 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.9 t -92.62 133.01 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.71 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 39.4 p90 -140.15 136.62 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.68 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 33.7 ttpt -88.66 113.39 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.896 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.4 t80 -82.68 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.52 ' O ' ' O ' ' A' ' 102' ' ' ARG . 8.8 t70 -104.51 90.14 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.472 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.38 -67.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt -47.48 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.74 156.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -88.88 2.26 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.531 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.23 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.836 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 60.4 m -95.58 -164.12 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.858 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.74 54.49 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.83 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.49 -177.75 3.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.818 2.346 . . . . 0.0 112.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.2 tt0 -160.19 124.58 2.09 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.523 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.15 131.04 17.4 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.816 2.344 . . . . 0.0 112.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 10.0 tm-20 -122.91 102.46 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -75.51 88.41 2.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.5 p -46.93 164.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.05 -30.07 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.646 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.91 35.63 1.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.3 tp -104.18 3.38 32.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.514 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.848 ' HZ2' HH21 ' A' ' 121' ' ' ARG . 10.7 mmpt? -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' LYS . 99.2 mm-40 -39.22 -55.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -62.58 -47.6 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.848 HH21 ' HZ2' ' A' ' 118' ' ' LYS . 5.3 tmm_? -53.83 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.576 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.5 m-20 -25.41 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.18 0.46 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.6 m -51.08 -48.58 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.43 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.41 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 37.0 m -47.97 -46.2 32.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.442 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.42 34.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.76 -12.32 60.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.638 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.38 -32.72 74.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.604 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.69 -39.24 24.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.55 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.4 t80 -54.78 -38.8 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 134' ' ' ASP . 87.7 t -74.73 -40.54 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.446 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.7 mttt -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.0 m-20 -147.58 7.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.702 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.9 m80 -151.07 -21.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.3 m-85 -114.67 106.48 52.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.459 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.0 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.775 2.316 . . . . 0.0 112.09 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.53 50.07 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.64 12.62 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.6 ' HB2' HD21 ' A' ' 75' ' ' LEU . 59.0 m-85 -135.08 158.17 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.599 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.34 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 89.8 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.505 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.0 t -75.73 143.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.559 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.3 m-85 -120.21 124.27 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.568 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.61 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -123.85 167.36 14.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.7 t -107.55 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.598 HG22 ' OD2' ' A' ' 149' ' ' ASP . 13.0 mt -91.17 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.601 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.59 54.23 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.9 -62.81 4.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -53.75 129.8 34.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.649 ' H ' HG21 ' A' ' 181' ' ' ILE . 75.3 mt-30 -85.73 150.47 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.396 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.699 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.16 22.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.46 110.0 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.44 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.1 117.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.88 116.05 27.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 89.8 m -106.12 135.43 47.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.76 137.72 55.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.527 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.35 151.92 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.747 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 161' ' ' HIS . . . . . 0.679 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.7 p-80 -140.64 170.6 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -148.61 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.199 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.679 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.4 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.006 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.97 66.14 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.75 -52.09 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.791 2.328 . . . . 0.0 112.109 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 10.7 m120 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.84 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 52.7 m-85 70.09 80.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.84 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 18.8 p-90 158.81 127.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.339 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.15 29.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.586 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.5 ttp180 -165.73 136.69 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.331 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' TRP . . . . . 0.747 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.3 t-105 -107.6 138.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.51 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.6 mtm180 -125.37 152.25 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.167 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.29 111.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.646 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.4 tt0 -116.39 124.73 50.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.119 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.7 m95 -120.63 116.91 26.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.91 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -98.63 119.78 37.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.353 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.699 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.0 m-85 -117.48 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.672 ' O ' ' O ' ' A' ' 179' ' ' PHE . 16.8 p -50.07 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ILE . . . . . 0.817 ' O ' HG23 ' A' ' 182' ' ' THR . 9.7 tp -164.27 151.34 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.7 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.937 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.5 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 1.041 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 82.4 Cg_exo -34.44 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.823 0 C-N-CA 123.438 2.759 . . . . 0.0 112.669 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' PRO . . . . . 0.937 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 69.0 Cg_endo -79.87 -4.23 13.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.841 2.361 . . . . 0.0 112.15 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' THR . . . . . 1.077 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.28 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.158 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.76 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 1.031 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 0.8 OUTLIER -106.72 -115.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.8 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.759 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.85 111.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.39 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.79 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -150.35 147.79 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.778 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' ILE . . . . . 0.555 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 64.9 mt -149.42 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.264 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -142.33 130.24 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.707 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 48.0 t -132.64 136.65 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' HIS . . . . . 0.779 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 21.6 t-160 -126.55 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.953 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 198' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.57 87.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.784 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.9 p90 -100.08 87.76 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 200' ' ' GLU . . . . . 0.805 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.2 tt0 -129.46 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.317 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ASP . . . . . 0.805 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 89.3 m-20 114.8 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.382 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.63 -129.14 1.09 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -172.84 99.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.08 129.17 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' GLN . . . . . 0.707 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 81.5 mt-30 -136.77 154.12 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.9 tt -122.28 87.21 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.9 t -90.07 122.27 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 33.0 t -149.64 147.23 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 209' ' ' HIS . 14.8 p80 -157.86 145.13 18.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.165 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -135.48 129.08 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 211' ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' ' 191' ' ' VAL . 64.4 m-20 -103.6 129.87 50.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.22 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 212' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 213' ' ' GLN . 96.7 mt -127.15 154.88 37.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 0.0 110.982 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 213' ' ' GLN . . . . . 0.448 ' N ' HG22 ' A' ' 212' ' ' ILE . 52.6 tt0 -150.2 102.69 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.322 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 214' ' ' ASP . . . . . 0.65 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 99.7 m-20 -118.88 166.09 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.681 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 215' ' ' SER . . . . . 1.031 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 23.5 p -117.84 103.39 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 216' ' ' VAL . . . . . 1.158 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.88 165.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.661 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 217' ' ' GLN . . . . . 1.077 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.4 pt20 -102.64 128.03 49.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 1.068 HG23 ' HB2' ' A' ' 186' ' ' ALA . 67.5 t -85.99 137.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.619 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.974 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.5 t -130.99 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 220' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.28 -163.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 221' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 21.4 p-10 -86.81 -62.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.471 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 98.2 t -70.05 -24.7 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -74.0 -56.72 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.974 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.0 p -54.6 -36.9 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.517 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.14 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -57.06 -30.55 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -67.61 -38.78 84.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 216' ' ' VAL . 38.3 m-85 -67.72 -54.01 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.354 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 229' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.12 -27.36 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -74.83 -36.75 62.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 231' ' ' ILE . . . . . 0.431 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.8 mt -67.48 -41.21 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.454 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 232' ' ' ILE . . . . . 0.46 HG23 ' CE2' ' A' ' 177' ' ' TRP . 53.9 mt -70.09 -44.42 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -57.11 -46.98 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.474 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.98 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -60.15 -44.16 95.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 237' ' ' ASN . . . . . 0.605 ' O ' HG23 ' A' ' 241' ' ' THR . 92.6 m-20 -59.98 -40.19 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.85 -34.32 73.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.492 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.5 -44.41 74.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -68.17 -38.95 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 237' ' ' ASN . 19.0 p -61.53 -45.74 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.73 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.553 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.6 mm -69.18 -47.51 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.67 -34.23 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.83 -42.98 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 246' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 250' ' ' MET . 24.1 t-20 -62.07 -34.68 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 247' ' ' TYR . . . . . 0.595 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.89 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 248' ' ' GLN . . . . . 0.579 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 12.5 tp60 -73.21 -50.94 19.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 249' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.0 m -64.7 -34.85 79.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 250' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.1 ptp -72.87 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.3 p -112.95 -10.13 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 252' ' ' ASP . . . . . 0.802 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 2.7 p30 -132.06 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 253' ' ' THR . . . . . 0.61 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 3.9 m 175.74 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 254' ' ' THR . . . . . 0.572 ' N ' HG22 ' A' ' 253' ' ' THR . 6.8 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -47.63 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -64.15 -11.85 34.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.23 -18.19 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.01 -91.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.616 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 259' ' ' ARG . . . . . 0.855 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.7 ttt180 -98.64 174.41 6.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 260' ' ' ARG . . . . . 0.855 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 18.4 mmm180 -109.19 153.2 24.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 261' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 53.4 tt0 -83.66 -11.22 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.66 133.22 3.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 263' ' ' PRO . . . . . 0.716 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 75.8 Cg_exo -43.92 135.38 7.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.869 2.38 . . . . 0.0 112.109 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 264' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 265' ' ' THR . 6.1 m -37.74 -39.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 265' ' ' THR . . . . . 0.485 ' O ' HG22 ' A' ' 267' ' ' THR . 33.9 p -64.15 -5.46 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 266' ' ' ARG . . . . . 0.679 ' N ' ' O ' ' A' ' 263' ' ' PRO . 4.7 ttm180 54.13 55.61 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.7 mttt -16.73 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.614 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 269' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 270' ' ' ASP . 95.9 mt -50.3 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.538 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.809 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.3 m-20 -117.09 58.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 271' ' ' TRP . . . . . 0.607 ' C ' ' O ' ' A' ' 270' ' ' ASP . 82.0 m95 -21.5 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 272' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.9 t-20 -44.54 -25.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 273' ' ' LYS . . . . . 1.214 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 0.8 OUTLIER -99.92 -7.73 24.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.657 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 274' ' ' ILE . . . . . 0.592 ' N ' ' O ' ' A' ' 271' ' ' TRP . 8.0 mm -103.21 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 275' ' ' LEU . . . . . 0.719 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.2 mt -111.18 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 276' ' ' SER . . . . . 1.31 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.94 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 1.214 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 75.3 t80 -30.92 43.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 278' ' ' LYS . . . . . 1.31 ' N ' ' O ' ' A' ' 276' ' ' SER . 31.6 mtmm -107.64 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.562 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.5 mt 54.18 3.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.1 0.0 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 51.8 tttp . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.509 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 302' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 34.6 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -42.77 -51.23 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -55.35 -34.12 63.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.472 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.68 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.435 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 46.9 tp -57.25 -40.57 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.01 -40.79 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.6 m -68.1 -37.17 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.24 -42.11 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.349 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.36 -38.35 84.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 311' ' ' ASP . . . . . 0.405 ' OD1' ' NE ' ' B' ' 315' ' ' ARG . 47.1 t0 -68.29 -33.65 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.82 -43.75 74.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.1 mmm -64.36 -25.63 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 315' ' ' ARG . . . . . 0.588 HH11 ' HG2' ' B' ' 315' ' ' ARG . 51.0 mtt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.64 147.75 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.65 128.42 21.08 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.825 2.35 . . . . 0.0 112.04 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 318' ' ' PRO . . . . . 0.422 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.0 Cg_endo -71.48 -4.02 14.17 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.846 2.364 . . . . 0.0 112.061 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 319' ' ' GLN . . . . . 0.418 ' HG2' ' H ' ' B' ' 319' ' ' GLN . 5.6 pt20 -80.59 -17.81 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -123.91 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 321' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' B' ' 318' ' ' PRO . 85.7 mt -63.33 -40.88 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.75 -60.76 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.67 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.66 -55.75 26.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.5 tp -47.18 -48.92 23.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.447 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.1 t -57.13 -49.69 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.393 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.33 -40.73 97.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.479 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 61.3 tp -55.55 -41.06 72.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.485 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -41.21 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -57.81 -37.95 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.22 -29.08 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.59 84.62 9.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.1 -5.57 15.08 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.082 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 97.4 p -89.37 -6.4 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 88.9 mt -119.03 20.87 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.632 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 336' ' ' CYS . . . . . 0.442 ' SG ' HD11 ' B' ' 340' ' ' LEU . 12.0 t -64.11 -55.86 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.41 -50.34 73.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.77 -36.18 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 339' ' ' LEU . . . . . 0.47 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 72.8 mt -79.05 -28.67 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 340' ' ' LEU . . . . . 0.638 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 39.3 mt -81.47 12.42 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.0 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.4 p -119.41 -15.53 9.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 89.4 t -105.83 120.06 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -87.86 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.5 OUTLIER -129.32 165.91 29.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.483 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.44 125.24 5.85 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.829 2.353 . . . . 0.0 112.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.73 122.53 17.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.67 148.81 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.1 pt -102.98 136.37 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.715 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' ALA . . . . . 0.725 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.66 33.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -114.33 143.39 44.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.971 ' O ' ' N ' ' B' ' 356' ' ' GLY . 61.9 t0 -111.98 81.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 67.0 mmtt -37.28 -62.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 354' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' B' ' 353' ' ' LYS . 98.0 t -39.54 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.594 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.3 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.603 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.971 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.67 70.63 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.03 154.89 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.619 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 358' ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.3 m-20 -94.77 143.03 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' HB1' ' B' ' 350' ' ' ALA . 29.9 p90 -139.62 135.75 33.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.15 156.63 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.481 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.2 mt -108.6 158.56 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 362' ' ' CYS . . . . . 0.597 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.5 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 363' ' ' ASP . . . . . 0.638 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.0 t70 -75.48 -10.32 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 364' ' ' TYR . . . . . 0.449 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 38.5 m-85 -88.38 -18.22 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 365' ' ' ASN . . . . . 0.597 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 35.8 p-10 -123.21 24.76 8.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 366' ' ' ARG . . . . . 0.503 HH22 HD13 ' B' ' 340' ' ' LEU . 31.0 ttp180 -119.92 129.85 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -122.2 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.73 1.75 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.26 8.65 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.573 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 370' ' ' SER . . . . . 1.142 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.6 p -122.36 161.36 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 371' ' ' TYR . . . . . 1.119 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 83.6 m-85 -118.3 150.83 38.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 372' ' ' ARG . . . . . 0.616 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.5 ttp180 -98.82 124.71 43.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 373' ' ' SER . . . . . 0.599 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.2 t -79.56 133.8 58.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.773 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.91 -14.81 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.863 2.375 . . . . 0.0 112.197 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -85.87 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.641 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.5 p -83.17 -18.58 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 377' ' ' ASN . . . . . 0.599 ' HA ' ' O ' ' B' ' 373' ' ' SER . 19.5 t30 70.18 40.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.578 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -141.57 137.88 32.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 379' ' ' TYR . . . . . 1.119 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 46.0 m-85 -65.7 140.41 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 380' ' ' ASP . . . . . 0.77 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.4 6.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.379 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 1.142 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.4 Cg_exo -65.47 120.05 7.19 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.973 2.448 . . . . 0.0 112.317 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -41.55 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.968 2.446 . . . . 0.0 112.279 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.684 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.47 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.581 ' H ' HD23 ' B' ' 383' ' ' LEU . 97.6 mt-10 -111.64 -72.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.07 66.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.491 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 387' ' ' ALA . . . . . 0.6 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -64.0 127.25 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.27 148.58 70.3 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 389' ' ' PRO . . . . . 0.456 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.8 Cg_endo -72.94 150.75 49.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.775 2.317 . . . . 0.0 112.146 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 95.5 p -52.72 142.89 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.76 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -67.85 -37.88 82.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -55.3 -36.85 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.5 -46.56 85.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.323 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.47 -31.89 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.323 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.616 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.6 tt0 -67.81 -38.01 82.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.403 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.14 -40.32 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -36.98 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.93 94.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 401' ' ' ASN . . . . . 0.433 ' O ' ' OD2' ' B' ' 405' ' ' ASP . 57.6 m-80 -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.374 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -72.19 -40.34 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.362 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.99 78.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.26 -29.25 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.441 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.483 ' O ' ' NH1' ' B' ' 408' ' ' ARG . 15.3 m-20 -54.6 -38.85 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 406' ' ' GLN . . . . . 0.418 ' O ' HD12 ' B' ' 410' ' ' LEU . 78.6 mt-30 -77.11 -32.86 56.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 407' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 0.1 OUTLIER -69.76 -18.6 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 408' ' ' ARG . . . . . 0.53 ' HA ' ' HD2' ' B' ' 412' ' ' PHE . 6.4 ptt-85 -83.85 -35.51 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.533 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 409' ' ' ASP . . . . . 0.463 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 32.4 t70 -85.14 -8.98 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 410' ' ' LEU . . . . . 0.679 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 32.4 mt -95.85 -17.88 20.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 411' ' ' TYR . . . . . 0.716 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.516 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.797 ' CD1' ' HG3' ' B' ' 436' ' ' LYS . 74.3 m-85 -100.61 -25.89 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 413' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 99.6 mt-10 63.47 24.38 14.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.606 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.73 -154.44 25.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 415' ' ' GLY . . . . . 0.8 ' HA3' ' HD3' ' B' ' 436' ' ' LYS . . . 76.32 -163.48 53.0 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.3 t -128.65 153.78 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.48 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 80.0 p -143.65 148.49 35.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.1 m -148.2 143.91 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.369 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.79 130.23 58.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.535 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.9 m-85 -128.46 132.39 48.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.334 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 8.8 mt -119.61 158.44 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 422' ' ' TRP . . . . . 0.969 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.9 p90 -154.52 110.58 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.51 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -43.04 159.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 424' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.6 mt -127.91 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 425' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 41.8 m-20 -87.31 -49.88 6.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.76 30.7 4.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.66 2.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -170.7 154.08 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 429' ' ' ALA . . . . . 0.969 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.99 172.83 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.69 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 431' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 9.8 p -130.09 126.36 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.52 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.29 113.68 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' B' ' 450' ' ' SER . 53.3 mt -102.87 143.16 32.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 434' ' ' ILE . . . . . 0.589 HG23 ' HZ3' ' B' ' 436' ' ' LYS . 0.3 OUTLIER -148.72 119.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 435' ' ' LYS . . . . . 0.639 ' O ' ' HD3' ' B' ' 436' ' ' LYS . 49.3 tttp -122.56 127.53 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 436' ' ' LYS . . . . . 0.8 ' HD3' ' HA3' ' B' ' 415' ' ' GLY . 8.6 mmtm -137.2 119.6 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.14 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.04 179.49 45.03 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -50.71 128.06 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.504 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.63 9.74 76.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 74.1 m -110.4 -4.22 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -89.23 153.89 20.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -56.91 -43.77 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.64 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 444' ' ' ILE . . . . . 0.43 HD12 ' ND2' ' A' ' 246' ' ' ASN . 14.7 tt -95.11 135.96 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -105.79 154.69 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.43 130.68 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.225 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 448' ' ' TRP . . . . . 0.554 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.3 t-105 -114.83 116.22 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 449' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.44 127.23 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.275 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 450' ' ' SER . . . . . 0.464 ' HB2' ' HB ' ' B' ' 434' ' ' ILE . 0.5 OUTLIER -115.96 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.911 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 95.5 mt -127.89 100.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.192 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 452' ' ' HIS . . . . . 0.498 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 2.6 m-70 -108.66 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.68 95.64 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.271 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 454' ' ' VAL . . . . . 0.431 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.4 p -96.74 153.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 455' ' ' GLU . . . . . 0.431 ' N ' HG22 ' B' ' 454' ' ' VAL . 96.3 mt-10 -131.83 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.339 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.9 t -79.03 139.69 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -123.54 68.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 458' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.0 mt-10 -40.33 146.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.588 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 459' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.5 mmtp -109.39 142.02 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -49.04 -54.12 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 35.1 p -126.73 146.55 50.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 462' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.76 48.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 59.11 -0.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.697 0.284 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 15.0 t -82.29 123.64 29.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 466' ' ' HIS . . . . . 0.528 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.5 t-160 -92.89 126.56 38.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.365 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -103.21 139.45 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.933 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -135.84 86.09 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.211 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 469' ' ' LEU . . . . . 0.782 HD12 ' H ' ' B' ' 470' ' ' THR . 28.4 tp -82.11 157.57 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 470' ' ' THR . . . . . 0.782 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.8 m -157.84 62.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.049 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 471' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 16.1 m -64.68 174.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 472' ' ' THR . . . . . 0.508 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.5 m -168.77 87.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.129 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 473' ' ' VAL . . . . . 0.415 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 91.7 t -69.66 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 474' ' ' MET . . . . . 0.439 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 11.6 mtp -124.81 95.95 4.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.167 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 475' ' ' LEU . . . . . 0.523 HD23 ' CE2' ' B' ' 532' ' ' TYR . 4.6 tp -86.59 131.14 34.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -125.29 130.32 51.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.226 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -137.41 124.59 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.937 0.398 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 478' ' ' GLN . . . . . 0.724 HE22 ' HB2' ' B' ' 488' ' ' ASN . 32.8 tp60 -138.14 158.14 44.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.414 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 479' ' ' THR . . . . . 0.611 ' N ' ' HG3' ' B' ' 478' ' ' GLN . 1.7 t -163.42 127.46 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.666 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 480' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 48.0 p30 -108.22 73.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 64.0 tttp -107.62 146.65 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 61.7 p -57.26 -46.01 83.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.64 -25.28 68.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' C ' ' B' ' 485' ' ' GLY . 6.3 t -125.86 14.81 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 110.629 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 486' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.2 m -126.01 114.0 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 487' ' ' MET . . . . . 0.619 ' O ' ' NE2' ' B' ' 478' ' ' GLN . 2.6 tmm? -125.11 118.1 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 488' ' ' ASN . . . . . 0.724 ' HB2' HE22 ' B' ' 478' ' ' GLN . 33.6 t-20 -119.01 123.99 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 489' ' ' LEU . . . . . 0.536 HD11 ' OH ' ' A' ' 247' ' ' TYR . 1.2 tt -131.68 76.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.84 21.78 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 491' ' ' GLY . . . . . 0.629 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.89 -142.68 11.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 492' ' ' SER . . . . . 0.629 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.6 p 163.26 135.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.54 149.46 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 494' ' ' THR . . . . . 0.508 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.6 m -127.14 142.91 51.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -150.0 128.74 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -92.87 160.51 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 12.3 ttp -160.06 130.46 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.671 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.55 141.64 47.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.25 145.84 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.528 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.4 m-20 -91.28 125.23 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.484 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -120.7 160.12 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.4 m -94.2 131.83 39.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.63 122.43 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.653 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.86 -35.84 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.7 -19.82 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 6.8 t -135.52 73.48 62.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.596 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.53 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.763 2.309 . . . . 0.0 112.161 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.77 -62.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.5 mt -42.71 -49.11 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.24 71.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.93 -48.22 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.6 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.75 -46.56 74.11 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.33 -44.39 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.71 0.291 . . . . 0.0 110.699 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.15 -52.51 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.47 -47.21 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.82 -51.79 68.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.48 -37.56 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 37.5 tpp -64.31 -49.41 71.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.62 -45.24 93.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.721 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -56.93 -41.46 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.62 -38.46 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.45 -24.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 525' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' B' ' 525' ' ' ARG . 50.6 ttt-85 -68.7 -27.7 66.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 37.2 t -85.01 -38.69 18.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 14.4 m -66.04 -35.79 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 47.2 mt -64.93 -42.41 94.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.58 -31.27 70.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 530' ' ' GLU . . . . . 0.969 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.5 mt-10 -74.35 -54.48 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.39 -61.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 532' ' ' TYR . . . . . 0.687 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 14.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 533' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 534' ' ' GLY . . . . . 0.969 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.07 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.52 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.2 tptm -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.687 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 67.1 p -34.8 -58.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.34 -53.27 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -53.2 -44.97 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 539' ' ' ILE . . . . . 0.447 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 94.4 mt -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.48 -41.95 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.77 -17.2 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.33 48.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.459 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 14.6 mt -68.1 -51.4 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 110.446 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 544' ' ' ARG . . . . . 0.733 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.78 170.12 16.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 545' ' ' SER . . . . . 0.733 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 36.1 t -142.2 137.9 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.19 -43.47 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -82.94 138.6 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 548' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.09 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 83.3 mt -79.51 112.69 30.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.558 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 550' ' ' PRO . . . . . 0.574 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.2 Cg_exo -46.51 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.846 2.364 . . . . 0.0 112.091 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.574 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.0 p-10 -25.25 145.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -129.87 116.16 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.26 -24.81 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.48 ' O ' HD13 ' B' ' 558' ' ' LEU . 44.2 mmtm -52.52 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.67 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -57.53 -46.9 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.751 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -65.88 -29.63 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 558' ' ' LEU . . . . . 0.48 HD13 ' O ' ' B' ' 554' ' ' LYS . 6.9 mp -77.84 -30.34 51.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -73.57 -36.32 65.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.23 -40.51 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.792 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 561' ' ' GLU . . . . . 0.595 ' O ' HG23 ' B' ' 565' ' ' VAL . 76.4 mt-10 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.887 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.9 mt -49.06 -40.76 32.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.656 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 563' ' ' SER . . . . . 0.795 ' O ' ' N ' ' B' ' 565' ' ' VAL . 60.7 m -61.15 -76.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.5 pt20 -36.67 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.887 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.6 t -72.09 -42.73 67.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.7 mt -81.42 -35.58 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 567' ' ' THR . . . . . 0.426 ' H ' HG23 ' B' ' 567' ' ' THR . 4.4 p -70.37 -19.51 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -117.56 6.6 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.3 ttt180 -160.98 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.901 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.7 tt0 139.81 128.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.672 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 571' ' ' ILE . . . . . 0.901 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 54.1 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 601' ' ' MET . . . . . 0.733 ' O ' ' SG ' ' C' ' 602' ' ' CYS . 76.4 mmm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 602' ' ' CYS . . . . . 0.733 ' SG ' ' O ' ' C' ' 601' ' ' MET . 1.0 OUTLIER 62.19 5.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -49.83 -37.8 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 604' ' ' LYS . . . . . 0.531 ' NZ ' ' CE ' ' C' ' 607' ' ' MET . 0.0 OUTLIER -69.69 -52.25 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -55.11 -28.89 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 606' ' ' PHE . . . . . 0.66 ' CD2' ' SG ' ' C' ' 602' ' ' CYS . 0.9 OUTLIER -75.73 -53.59 8.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 607' ' ' MET . . . . . 0.531 ' CE ' ' NZ ' ' C' ' 604' ' ' LYS . 43.8 ttp -72.78 -36.83 67.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -56.8 -16.0 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 609' ' ' ALA . . . . . 0.571 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.4 -50.7 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.595 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 610' ' ' LEU . . . . . 0.735 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.6 mp -66.26 2.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 611' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' C' ' 609' ' ' ALA . 17.7 tptm -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 612' ' ' ASN . . . . . 0.48 ' ND2' ' OD1' ' C' ' 614' ' ' ASP . 25.7 t30 -70.38 -4.24 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 613' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.89 58.44 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 614' ' ' ASP . . . . . 0.48 ' OD1' ' ND2' ' C' ' 612' ' ' ASN . 6.5 m-20 -63.84 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.568 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 615' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.3 pp -44.97 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' C ' ' C' ' 614' ' ' ASP . 65.8 t0 -77.76 -27.46 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 617' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' C' ' 614' ' ' ASP . 21.0 tp10 -81.54 -49.88 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 618' ' ' VAL . . . . . 0.666 ' O ' ' CD2' ' C' ' 621' ' ' TYR . 2.3 m -62.86 -28.36 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.556 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 619' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.9 tttm -66.18 -21.89 66.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 620' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 93.1 m-20 -75.37 -45.38 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 621' ' ' TYR . . . . . 0.954 ' OH ' HG22 ' C' ' 628' ' ' VAL . 0.1 OUTLIER -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 622' ' ' VAL . . . . . 0.887 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.2 p -57.73 -27.85 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 623' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.74 -16.76 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -64.75 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.42 0.1 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.5 mt-10 34.24 95.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -141.03 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 628' ' ' VAL . . . . . 0.954 HG22 ' OH ' ' C' ' 621' ' ' TYR . 1.6 t -121.97 76.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -173.09 5.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 631' ' ' THR . . . . . 0.485 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.11 87.67 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 632' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' C' ' 631' ' ' THR . 48.1 tp -31.35 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.513 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 71.7 mm-40 -71.67 -76.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 634' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 635' ' ' GLY . . . -153.71 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 635' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 634' ' ' GLY . . . -163.43 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 636' ' ' ARG . . . . . 0.495 ' NH1' ' OH ' ' C' ' 641' ' ' TYR . 67.3 mtp180 -127.88 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 637' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.7 mptp? -108.38 157.01 37.56 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 638' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.3 Cg_endo -73.7 25.01 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.874 2.383 . . . . 0.0 112.103 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 639' ' ' LEU . . . . . 0.536 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.74 -16.36 10.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -75.22 -43.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 641' ' ' TYR . . . . . 0.495 ' OH ' ' NH1' ' C' ' 636' ' ' ARG . 66.0 m-85 -71.67 -36.0 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.464 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 642' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.99 75.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 643' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' C' ' 651' ' ' LEU . . . -69.05 -48.47 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.526 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 644' ' ' ASP . . . . . 0.498 ' OD2' ' OE2' ' C' ' 678' ' ' GLU . 2.9 t0 -60.6 -35.73 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.495 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 645' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 34.9 t -160.89 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.587 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 646' ' ' GLY . . . . . 0.681 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.01 34.13 4.46 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 647' ' ' GLN . . . . . 0.566 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 35.9 tt0 51.67 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.815 0.341 . . . . 0.0 110.577 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 648' ' ' LEU . . . . . 0.888 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.57 7.0 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 649' ' ' GLU . . . . . 0.404 ' C ' HD12 ' C' ' 650' ' ' ILE . 98.1 mt-10 -115.76 -12.64 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 650' ' ' ILE . . . . . 0.637 ' N ' HD12 ' C' ' 650' ' ' ILE . 1.2 mp -87.56 -36.13 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' C' ' 648' ' ' LEU . 0.2 OUTLIER -62.33 -52.91 61.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 652' ' ' GLU . . . . . 0.71 ' N ' HD12 ' C' ' 651' ' ' LEU . 12.1 pt-20 -56.21 -22.6 30.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.489 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 653' ' ' PHE . . . . . 0.972 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.2 t80 -75.81 -97.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 654' ' ' LEU . . . . . 0.502 ' N ' HD23 ' C' ' 654' ' ' LEU . 0.3 OUTLIER -41.39 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 655' ' ' LEU . . . . . 0.972 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.94 -47.89 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.26 -25.43 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.532 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 658' ' ' GLY . . . . . 0.599 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.35 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 659' ' ' ALA . . . . . 0.702 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.592 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 660' ' ' ASP . . . . . 0.529 ' HB2' HD12 ' C' ' 639' ' ' LEU . 18.0 m-20 -57.39 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 661' ' ' ILE . . . . . 0.702 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.8 tp -66.01 1.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 662' ' ' ASN . . . . . 1.098 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.6 m-20 -163.66 -18.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 663' ' ' ALA . . . . . 0.777 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.62 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 0.0 110.592 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 664' ' ' PRO . . . . . 1.098 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 76.4 Cg_exo -46.98 120.79 4.45 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.866 2.377 . . . . 0.0 112.18 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -125.85 -50.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 666' ' ' LYS . . . . . 0.402 ' CD ' ' N ' ' C' ' 666' ' ' LYS . 1.6 mptm? -78.84 -16.11 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 667' ' ' HIS . . . . . 0.497 ' O ' HG22 ' C' ' 669' ' ' ILE . 0.9 OUTLIER -80.49 -6.3 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.534 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 669' ' ' ILE . . . . . 0.497 HG22 ' O ' ' C' ' 667' ' ' HIS . 16.5 tt -176.88 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 670' ' ' THR . . . . . 0.405 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.21 168.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 671' ' ' PRO . . . . . 0.415 ' HG3' HD13 ' C' ' 639' ' ' LEU . 53.7 Cg_endo -72.48 -30.5 12.27 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.889 2.393 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.774 HD12 HG13 ' C' ' 684' ' ' VAL . 0.4 OUTLIER -45.39 -49.09 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 673' ' ' LEU . . . . . 0.622 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.77 66.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 674' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.1 t -51.81 -40.91 61.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 675' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.52 -29.97 61.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 676' ' ' VAL . . . . . 0.622 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 17.9 t -47.19 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.78 39.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 678' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 62.3 mm-40 -124.47 -28.63 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.34 72.35 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 680' ' ' HIS . . . . . 0.895 ' O ' ' N ' ' C' ' 682' ' ' SER . 64.6 m80 -71.94 -53.53 12.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.29 -5.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 682' ' ' SER . . . . . 0.895 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.3 t -67.39 -24.24 65.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.618 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 683' ' ' CYS . . . . . 0.699 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 9.6 p -90.96 -48.71 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 684' ' ' VAL . . . . . 0.774 HG13 HD12 ' C' ' 672' ' ' LEU . 92.2 t -41.82 -34.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 685' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' C' ' 687' ' ' LEU . 99.0 mttt -62.49 -73.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 686' ' ' LEU . . . . . 0.552 ' N ' HD22 ' C' ' 686' ' ' LEU . 3.8 mm? -62.93 1.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 687' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.9 -70.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 688' ' ' LEU . . . . . 0.432 ' N ' HD12 ' C' ' 688' ' ' LEU . 10.8 mp -45.65 -21.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 689' ' ' SER . . . . . 0.428 ' N ' ' C ' ' C' ' 687' ' ' LEU . 13.2 m -55.72 -21.64 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -99.57 -6.31 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 691' ' ' GLY . . . . . 1.08 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.75 -74.92 0.42 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 692' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.22 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.636 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 693' ' ' ASP . . . . . 1.08 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.6 OUTLIER 33.06 -128.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -152.56 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.56 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 696' ' ' VAL . . . . . 0.442 HG22 ' OD2' ' C' ' 693' ' ' ASP . 5.5 t -93.43 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 697' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' C' ' 664' ' ' PRO . 0.4 OUTLIER -140.13 23.51 2.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.79 20.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 699' ' ' PRO . . . . . 0.642 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 74.8 Cg_exo -44.84 -27.68 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.162 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 700' ' ' ASP . . . . . 0.642 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.7 t70 157.69 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.85 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 702' ' ' LEU . . . . . 0.652 ' O ' ' C ' ' C' ' 703' ' ' THR . 2.9 tt -53.84 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 703' ' ' THR . . . . . 0.887 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 11.4 p 16.22 -95.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 704' ' ' ALA . . . . . 0.513 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.59 -18.67 13.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 705' ' ' LEU . . . . . 0.571 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 0.2 OUTLIER -62.82 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.76 15.2 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 707' ' ' ALA . . . . . 0.887 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 65.1 p -139.83 -142.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -148.78 -4.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -72.59 151.87 42.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -71.61 -20.43 61.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.33 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.683 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 713' ' ' ILE . . . . . 0.502 ' O ' HD21 ' C' ' 716' ' ' LEU . 7.8 mt -70.05 -37.67 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -52.04 -29.95 23.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.25 14.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 716' ' ' LEU . . . . . 0.845 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.3 OUTLIER -161.04 98.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.556 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 717' ' ' LEU . . . . . 0.845 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 12.9 mt 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 718' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 40.9 tt0 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 7' ' ' ARG . 56.9 ttt-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.8 p -54.07 94.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -45.94 162.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.607 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 14' ' ' VAL . 99.9 m-20 -64.92 -33.61 76.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -39.35 87.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.6 mt-10 -67.5 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -63.72 -35.88 82.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.5 t -65.33 -43.71 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.417 HH21 ' HG2' ' A' ' 12' ' ' GLU . 72.0 mtm180 -61.56 -39.75 92.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.722 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.38 -47.4 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.496 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.69 75.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.87 -41.36 91.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.15 -44.83 87.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.667 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.69 -46.44 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.2 p -76.06 8.49 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.77 15.35 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.91 81.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.13 167.48 21.75 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.843 2.362 . . . . 0.0 112.061 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.92 116.26 4.6 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.725 2.283 . . . . 0.0 112.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.11 21.48 35.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 41.3 mt-10 -149.33 37.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 0.0 110.551 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -73.95 -48.89 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -57.03 -57.42 12.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 39.9 mp0 -44.43 -54.43 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.548 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 36' ' ' VAL . 54.5 t -60.79 -42.57 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 37.0 t80 -59.16 -50.83 72.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.672 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -60.08 -37.93 81.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.09 -42.04 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 32' ' ' VAL . 94.3 t -67.07 -41.86 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.38 -54.82 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.2 mm? -59.32 -34.79 72.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.8 mt -73.17 -49.79 26.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.74 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.3 t30 46.61 49.72 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.545 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 29.0 t-20 -168.68 79.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -51.95 -37.82 54.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.21 -44.17 71.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.545 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 95.8 mt -77.25 -30.88 54.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.1 tp -62.69 -38.79 91.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.13 -35.55 80.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.649 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -40.97 -59.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.16 -56.8 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.47 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.36 -36.96 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.4 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.475 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.6 -56.57 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.564 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 69.0 tp60 -33.63 -45.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 91.4 t80 -60.0 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -46.91 -30.97 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' GLN . 82.4 mtp -68.84 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 57' ' ' TYR . 6.8 p-10 -67.9 10.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.617 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.4 mm100 -124.52 24.73 7.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.86 44.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.8 m -58.85 111.33 3.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.69 115.22 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.87 2.38 . . . . 0.0 112.22 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG22 ' N ' ' A' ' 66' ' ' LYS . 11.5 p -109.37 165.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.635 ' N ' HG22 ' A' ' 65' ' ' VAL . 60.1 tttm -125.19 103.96 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.885 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.639 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.885 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -77.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.08 0.32 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.44 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.598 ' C ' ' O ' ' A' ' 70' ' ' TYR . 65.7 t0 20.22 39.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 1.069 ' O ' ' N ' ' A' ' 74' ' ' VAL . 54.1 t0 -98.72 19.37 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.7 ' C ' ' O ' ' A' ' 72' ' ' ASP . 16.1 mm100 -0.2 50.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.069 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p -63.86 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.725 ' N ' HG22 ' A' ' 74' ' ' VAL . 57.3 mt -113.39 152.31 30.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.02 105.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.13 -176.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -78.82 -31.28 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -64.01 -23.56 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.65 50.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.46 99.92 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.627 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 86' ' ' ARG . 55.3 tp -49.62 -51.48 37.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.14 -0.73 25.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -116.11 1.26 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.19 -15.74 9.34 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.66 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.68 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.52 -170.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 62.0 mt -118.35 157.35 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.707 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 21.4 t0 -139.35 89.04 12.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.0 -36.65 81.72 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' A' ' 141' ' ' CYS . 86.4 mtt180 -59.46 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.477 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.664 ' OD1' HD13 ' A' ' 94' ' ' ILE . 2.7 t-20 -76.5 -20.37 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.513 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.707 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.2 mtmp? 62.73 62.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.664 HD13 ' OD1' ' A' ' 92' ' ' ASN . 24.5 pt -146.47 154.45 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.823 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 3.9 t -92.69 133.05 36.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.698 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.3 p90 -140.14 136.63 33.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 62.0 tttm -88.68 113.42 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.583 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.861 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.2 t80 -82.72 133.11 35.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.534 ' OD2' ' NE ' ' A' ' 102' ' ' ARG . 17.4 t0 -104.54 90.11 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.48 -67.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.4 mt -47.44 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 99' ' ' ASP . 85.6 mtm180 -52.76 156.3 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -88.84 2.24 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.19 150.22 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.861 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.824 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 66.6 m -95.56 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.854 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.78 54.5 0.28 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.823 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.0 Cg_endo -73.47 -177.84 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.879 2.386 . . . . 0.0 112.068 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 3.5 mt-30 -160.1 124.55 2.11 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.11 130.95 17.1 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.07 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -122.87 102.47 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -75.47 88.41 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.7 p -46.87 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.537 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -76.1 -30.07 58.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.86 35.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.73 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 34.6 tp -104.14 3.35 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 119' ' ' GLN . 4.5 mmtm -54.01 -41.88 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 76.0 mt-30 -39.19 -55.98 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.534 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -62.59 -47.55 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.0 tmm_? -53.89 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.7 m-20 -25.39 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.52 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.2 m -51.12 -48.55 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.443 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.4 t0 -40.4 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.0 m -47.93 -46.25 31.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.29 -51.42 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.81 -12.3 60.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.669 ' NH2' ' NZ ' ' A' ' 133' ' ' LYS . 27.4 ttt-85 -66.41 -32.7 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.67 -39.3 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.549 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.9 t80 -54.74 -38.81 67.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' A' ' 134' ' ' ASP . 86.1 t -74.68 -40.55 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.669 ' NZ ' ' NH2' ' A' ' 129' ' ' ARG . 95.1 mttt -76.2 26.03 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.532 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 79.7 m-20 -147.57 7.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.696 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 70.2 m80 -150.99 -21.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.7 m-85 -114.72 106.44 52.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.463 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.54 -57.27 2.29 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.82 2.347 . . . . 0.0 112.027 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -127.5 50.08 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.87 163.54 12.63 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 75' ' ' LEU . 50.3 m-85 -135.03 158.21 44.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.595 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -129.57 162.32 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 89.6 m -161.44 97.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.59 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 41.9 t -75.77 143.48 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.4 m-85 -120.25 124.33 45.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.81 84.51 0.37 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -123.77 167.32 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 t -107.53 115.38 30.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.586 HG22 ' OD2' ' A' ' 149' ' ' ASP . 12.4 mt -91.19 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.607 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.61 54.22 9.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.87 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -53.74 129.78 34.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.665 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.646 ' H ' HG21 ' A' ' 181' ' ' ILE . 78.8 mt-30 -85.8 150.5 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.378 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.711 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.18 22.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.48 109.95 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.445 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.3 mt -98.06 117.03 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.84 116.06 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.243 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 74.0 m -106.12 135.44 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.8 mt -122.81 137.74 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.218 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.517 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.33 151.9 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.739 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.91 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.209 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 161' ' ' HIS . . . . . 0.667 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.67 170.63 15.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.951 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -148.63 77.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.191 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.667 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.38 147.43 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.475 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.0 OUTLIER -167.97 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.341 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.6 Cg_endo -60.64 -52.16 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.818 2.345 . . . . 0.0 112.13 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.87 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.465 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 11.4 m120 -121.95 -10.46 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.822 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.5 m-85 70.01 80.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.822 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.6 p-90 158.72 127.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.754 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -135.97 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.87 163.12 29.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.617 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 27.9 ttp180 -165.74 136.67 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.351 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' TRP . . . . . 0.739 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.6 t-105 -107.62 138.89 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.509 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 54.7 mtm180 -125.36 152.27 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.233 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.31 111.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.099 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.629 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 79.9 tt0 -116.35 124.66 50.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.3 m95 -120.59 116.95 26.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.927 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -98.63 119.85 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.373 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.711 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.5 m-85 -117.49 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.375 . . . . 0.0 110.794 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 18.0 p -50.09 -130.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ILE . . . . . 0.83 ' O ' HG23 ' A' ' 182' ' ' THR . 9.9 tp -164.32 151.35 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.911 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.42 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.452 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 1.069 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.8 Cg_exo -34.34 12.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.838 0 C-N-CA 123.46 2.774 . . . . 0.0 112.679 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' PRO . . . . . 0.911 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.9 Cg_endo -79.86 -4.29 13.3 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.826 2.351 . . . . 0.0 112.136 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' THR . . . . . 1.082 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.263 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.181 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.93 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.943 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 1.047 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.5 mt-30 -106.76 -115.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.241 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.76 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.429 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.71 115.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.535 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.6 157.84 20.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -150.36 147.82 28.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 68.6 mt -149.46 134.07 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.226 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.35 130.23 21.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.711 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.62 136.66 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.171 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' HIS . . . . . 0.759 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.53 141.58 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.961 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 44.7 t80 -145.58 87.13 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.772 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.7 p90 -100.06 87.76 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 200' ' ' GLU . . . . . 0.798 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.3 tt0 -129.43 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.292 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ASP . . . . . 0.798 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.8 m-20 114.82 2.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.65 -129.08 1.08 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.6 t30 -172.84 99.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.1 t -127.06 129.14 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.519 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' GLN . . . . . 0.711 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 31.5 mt-30 -136.74 154.21 50.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 21.3 tp -122.31 87.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.7 t -90.06 122.19 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 23.3 t -149.56 147.25 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.957 0.408 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' HIS . . . . . 0.4 ' CD2' ' C ' ' A' ' 209' ' ' HIS . 19.6 p-80 -157.86 145.1 18.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.229 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -135.43 129.04 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.924 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 191' ' ' VAL . 65.7 m-20 -103.57 129.82 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.241 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 212' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 213' ' ' GLN . 95.9 mt -127.19 154.85 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 213' ' ' GLN . . . . . 0.448 ' N ' HG22 ' A' ' 212' ' ' ILE . 58.6 tt0 -150.15 102.64 3.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.377 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 214' ' ' ASP . . . . . 0.651 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.7 t0 -118.89 166.1 13.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.685 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 215' ' ' SER . . . . . 1.047 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 25.7 p -117.8 103.4 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 216' ' ' VAL . . . . . 1.181 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.95 165.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 217' ' ' GLN . . . . . 1.082 ' HA ' ' O ' ' A' ' 185' ' ' THR . 8.0 pt20 -102.62 128.05 49.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 1.131 HG23 ' HB2' ' A' ' 186' ' ' ALA . 65.1 t -86.03 137.53 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.634 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.959 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.05 -99.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 220' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 224' ' ' THR . 0.2 OUTLIER -100.25 -163.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 221' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.5 p-10 -86.87 -62.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.492 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 97.9 t -70.13 -24.67 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 226' ' ' LYS . 36.4 mt-30 -73.98 -56.73 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.52 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.959 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.2 p -54.68 -36.87 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.07 14.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 226' ' ' LYS . . . . . 0.568 ' HG3' ' N ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -57.07 -30.56 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.412 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.568 ' N ' ' HG3' ' A' ' 226' ' ' LYS . 72.9 tt0 -67.59 -38.78 84.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.433 ' CE1' HG11 ' A' ' 216' ' ' VAL . 37.5 m-85 -67.72 -53.92 23.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.398 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 229' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 229' ' ' ILE . 1.7 mp -52.23 -27.27 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.399 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -74.9 -36.67 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.359 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 231' ' ' ILE . . . . . 0.414 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.7 mt -67.52 -41.15 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.474 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 232' ' ' ILE . . . . . 0.45 HG12 ' CD2' ' A' ' 177' ' ' TRP . 55.1 mt -70.1 -44.49 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.384 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.1 -47.01 82.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -69.58 -43.95 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.96 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.425 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -60.18 -44.09 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.448 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 237' ' ' ASN . . . . . 0.428 ' OD1' ' NH2' ' B' ' 544' ' ' ARG . 94.1 m-20 -60.06 -40.18 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.52 -44.38 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -68.18 -38.97 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 20.1 m -61.5 -45.73 92.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.521 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.7 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.2 -47.5 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.67 -34.21 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.89 -42.96 84.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 246' ' ' ASN . . . . . 0.533 ' OD1' ' NZ ' ' B' ' 481' ' ' LYS . 97.9 m-20 -62.12 -34.53 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 247' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.95 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -73.25 -50.91 19.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 249' ' ' THR . . . . . 0.834 ' HA ' ' OD1' ' A' ' 252' ' ' ASP . 7.0 m -64.74 -34.82 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 36.6 mtt -72.88 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.9 p -113.0 -10.1 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 252' ' ' ASP . . . . . 0.834 ' OD1' ' HA ' ' A' ' 249' ' ' THR . 19.7 p-10 -132.12 47.79 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 253' ' ' THR . . . . . 0.619 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.3 m 175.73 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 254' ' ' THR . . . . . 0.546 ' N ' HG22 ' A' ' 253' ' ' THR . 12.3 m -53.42 -61.32 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -47.69 -57.48 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.22 -11.77 34.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.3 -18.23 30.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.0 -91.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 259' ' ' ARG . . . . . 0.701 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.0 ttt180 -98.64 174.5 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 260' ' ' ARG . . . . . 0.701 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 10.6 tpp180 -109.2 153.23 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 261' ' ' GLN . . . . . 0.413 ' O ' HD12 ' A' ' 262' ' ' LEU . 47.4 tt0 -83.71 -11.24 57.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.61 133.24 3.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 263' ' ' PRO . . . . . 0.71 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.6 Cg_exo -43.95 135.43 7.82 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.913 2.408 . . . . 0.0 112.072 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 264' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 263' ' ' PRO . 78.7 t -37.84 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 69.8 p -64.19 -5.44 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.624 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 266' ' ' ARG . . . . . 0.667 ' N ' ' O ' ' A' ' 263' ' ' PRO . 31.2 ttm180 54.13 55.62 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 55.7 mtpt -16.8 131.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 269' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.6 OUTLIER -50.25 158.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' A' ' 273' ' ' LYS . 88.6 m-20 -117.11 58.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 271' ' ' TRP . . . . . 0.599 ' C ' ' O ' ' A' ' 270' ' ' ASP . 82.3 m95 -21.49 -55.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 272' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 270' ' ' ASP . 21.6 t-20 -44.62 -25.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 273' ' ' LYS . . . . . 1.256 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -99.97 -7.7 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.626 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 274' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 274' ' ' ILE . 55.6 mt -103.15 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 275' ' ' LEU . . . . . 0.721 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.6 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.561 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 276' ' ' SER . . . . . 1.289 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.93 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 1.256 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.9 t80 -30.95 43.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 278' ' ' LYS . . . . . 1.289 ' N ' ' O ' ' A' ' 276' ' ' SER . 68.9 mttm -107.67 80.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 91.7 mt 54.19 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.14 0.0 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 49.5 tttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.549 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 302' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 46.1 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -42.75 -51.2 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -55.33 -34.2 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.462 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.3 mt-30 -60.69 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.485 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.27 -40.62 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.407 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.9 -40.83 95.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.397 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 97.5 m -68.05 -37.21 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.422 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.715 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.346 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.32 -38.36 84.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.415 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.33 -33.64 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.37 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.86 -43.66 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.361 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.42 -25.58 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.391 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 314' ' ' ARG . . . . . 0.41 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 82.1 mtm180 -82.28 -12.41 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 315' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' B' ' 315' ' ' ARG . 50.3 mtt-85 -100.09 -46.82 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.6 147.75 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.7 128.49 21.37 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.836 2.357 . . . . 0.0 112.0 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 318' ' ' PRO . . . . . 0.436 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.1 Cg_endo -71.48 -4.1 14.34 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.896 2.397 . . . . 0.0 112.048 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -80.52 -17.83 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -123.91 39.42 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 321' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' B' ' 318' ' ' PRO . 89.3 mt -63.36 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.4 42.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.66 -55.8 25.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.555 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 44.7 tp -47.11 -48.98 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.404 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.08 -49.75 74.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.29 -40.78 97.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 328' ' ' LEU . . . . . 0.715 HD21 ' HB1' ' B' ' 309' ' ' ALA . 48.4 tp -55.5 -41.04 72.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.492 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -41.12 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.81 -37.93 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.424 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.26 -29.09 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.429 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.52 84.59 9.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -68.09 -5.58 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.736 2.291 . . . . 0.0 112.072 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 90.5 p -89.34 -6.45 56.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 98.2 mt -119.05 20.86 12.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 336' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' B' ' 340' ' ' LEU . 10.9 t -64.07 -55.92 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.32 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.74 -36.17 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.51 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 60.9 mt -79.08 -28.62 43.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.0 mt -81.51 12.46 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.572 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 54.4 p -144.17 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 53.4 p -119.37 -15.51 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.85 120.0 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.502 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -87.79 128.64 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.555 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.98 28.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.44 125.25 5.84 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.799 2.333 . . . . 0.0 112.149 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 347' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 347' ' ' LEU . 97.1 mt -66.67 122.49 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.681 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.6 148.79 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.465 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 16.7 pt -102.96 136.38 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.755 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' ALA . . . . . 0.731 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -114.33 143.34 45.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.97 ' O ' ' N ' ' B' ' 356' ' ' GLY . 50.2 t0 -111.87 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.498 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 68.6 mmtt -37.31 -62.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 354' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' B' ' 353' ' ' LYS . 94.8 t -39.48 -52.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.639 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.0 t -93.0 -25.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.97 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.7 70.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 352' ' ' ASP . 97.9 mttt -115.12 154.93 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 358' ' ' ASP . . . . . 0.731 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 34.1 m-20 -94.8 143.07 26.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.691 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.7 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.13 156.66 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.496 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.9 mt -108.59 158.55 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 362' ' ' CYS . . . . . 0.537 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.6 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 25.9 t70 -75.49 -10.32 59.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 364' ' ' TYR . . . . . 0.485 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 36.6 m-85 -88.34 -18.17 29.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 365' ' ' ASN . . . . . 0.537 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 37.3 p-10 -123.27 24.76 8.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 366' ' ' ARG . . . . . 0.514 HH22 HD13 ' B' ' 340' ' ' LEU . 31.3 ttp180 -119.96 129.84 54.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.18 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 79.98 -98.71 1.73 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -126.31 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.561 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 370' ' ' SER . . . . . 1.039 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 19.8 p -122.38 161.33 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 371' ' ' TYR . . . . . 1.141 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.8 m-85 -118.25 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 372' ' ' ARG . . . . . 0.586 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.2 ttp180 -98.72 124.72 43.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 373' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 35.2 t -79.61 133.79 58.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.859 2.373 . . . . 0.0 112.238 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -85.89 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 69.5 p -83.15 -18.6 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 377' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' B' ' 373' ' ' SER . 9.9 t30 70.27 40.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -141.55 137.87 32.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 379' ' ' TYR . . . . . 1.141 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 44.1 m-85 -65.72 140.45 58.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.672 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 380' ' ' ASP . . . . . 0.749 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.94 -60.45 6.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.378 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 1.039 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.44 120.05 7.18 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.005 2.47 . . . . 0.0 112.269 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.54 79.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.955 2.437 . . . . 0.0 112.328 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.632 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.48 177.56 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.51 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.616 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.618 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.98 65.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.523 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.17 151.72 47.44 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 387' ' ' ALA . . . . . 0.553 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.97 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.592 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 46.1 mtm -132.23 148.55 70.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 389' ' ' PRO . . . . . 0.463 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.6 Cg_endo -72.93 150.73 49.58 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.815 2.343 . . . . 0.0 112.144 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 90.9 p -52.68 142.9 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.537 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.91 -37.79 82.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.501 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.0 tp -70.89 -42.47 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.571 ' CZ ' ' ND2' ' B' ' 377' ' ' ASN . 44.2 ttm180 -55.32 -36.78 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -63.55 -46.56 85.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -32.0 73.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.586 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.4 tt0 -67.82 -37.99 82.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.08 -40.3 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.72 -37.02 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.408 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 401' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.98 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.318 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.18 -40.35 68.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.374 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.34 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 22.0 m-20 -54.61 -38.83 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.453 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -77.08 -32.89 57.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 407' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 2.1 t80 -69.69 -18.68 63.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 408' ' ' ARG . . . . . 0.915 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.6 OUTLIER -83.8 -35.49 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.537 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 409' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 3.0 t0 -85.17 -8.94 58.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 410' ' ' LEU . . . . . 0.677 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.3 mt -95.86 -17.9 20.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 411' ' ' TYR . . . . . 0.71 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.02 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.2 m-85 -100.63 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.556 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 63.47 24.38 14.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 414' ' ' GLY . . . . . 0.51 ' O ' ' NE ' ' B' ' 408' ' ' ARG . . . 162.71 -154.45 25.41 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 415' ' ' GLY . . . . . 0.915 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.36 -163.5 52.97 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 7.9 t -128.6 153.76 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 18.3 p -143.65 148.48 35.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.675 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 22.7 m -148.2 143.9 27.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.84 130.25 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.755 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.543 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.6 m-85 -128.44 132.38 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.401 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.1 mt -119.61 158.43 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.74 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 422' ' ' TRP . . . . . 0.962 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.8 p90 -154.47 110.5 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.547 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -43.05 159.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.641 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 424' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.1 mt -127.83 -147.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 425' ' ' ASP . . . . . 0.457 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 34.2 m-20 -87.35 -49.86 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -129.78 30.66 4.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.67 2.56 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.66 154.08 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 429' ' ' ALA . . . . . 0.962 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.67 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.9 p -130.06 126.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.39 113.69 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.4 mt -102.93 143.18 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 434' ' ' ILE . . . . . 0.472 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.7 mt -148.71 119.89 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -122.55 127.53 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 436' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.16 119.57 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.85 138.14 40.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.636 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.43 45.22 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.64 128.0 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.603 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.61 9.8 75.82 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 12.7 t -110.37 -4.27 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.474 ' CE ' ' OD2' ' C' ' 644' ' ' ASP . 93.9 mttt -89.18 153.86 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.513 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -56.9 -43.8 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.658 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 64.4 mt -95.15 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.705 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.84 154.69 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.67 152.41 24.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 4.0 t -149.46 130.6 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.21 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 448' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.6 t-105 -114.76 116.24 28.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 449' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.5 127.16 54.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 450' ' ' SER . . . . . 0.482 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.4 m -115.89 122.76 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.968 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.94 100.8 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.3 m-70 -108.67 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.75 95.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 454' ' ' VAL . . . . . 0.424 HG22 ' N ' ' B' ' 455' ' ' GLU . 10.0 p -96.68 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 455' ' ' GLU . . . . . 0.424 ' N ' HG22 ' B' ' 454' ' ' VAL . 96.5 mt-10 -131.79 102.2 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.328 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.4 t -79.1 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 458' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.7 mt-10 -40.31 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.671 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 459' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' B' ' 464' ' ' THR . 65.1 tttm -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.0 -54.14 16.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.626 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.73 146.56 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 462' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.34 -12.82 47.99 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 463' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' B' ' 463' ' ' ARG . 0.9 OUTLIER 59.16 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.668 0.27 . . . . 0.0 110.56 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.514 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.5 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 465' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.745 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 466' ' ' HIS . . . . . 0.534 ' ND1' ' OD1' ' B' ' 500' ' ' ASP . 0.8 OUTLIER -92.97 126.54 38.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.14 139.45 38.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.954 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -135.82 86.13 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.203 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 469' ' ' LEU . . . . . 0.747 HD12 ' H ' ' B' ' 470' ' ' THR . 27.6 tp -82.12 157.59 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 470' ' ' THR . . . . . 0.747 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.9 m -157.86 62.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.066 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 471' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 17.9 m -64.64 174.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.127 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 472' ' ' THR . . . . . 0.51 HG23 ' OG1' ' B' ' 494' ' ' THR . 54.2 m -168.79 87.54 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.135 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 473' ' ' VAL . . . . . 0.457 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 96.0 t -69.65 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 474' ' ' MET . . . . . 0.463 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.1 mtp -124.81 95.98 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.175 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 475' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.6 tp -86.64 131.21 34.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 476' ' ' TRP . . . . . 0.503 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 51.6 m95 -125.31 130.21 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.241 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 44.6 mt -137.36 124.67 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.759 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.406 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 479' ' ' THR . . . . . 0.596 HG22 ' HB3' ' B' ' 487' ' ' MET . 7.5 t -163.42 127.47 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.691 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 480' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.15 73.74 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 481' ' ' LYS . . . . . 0.88 ' O ' ' N ' ' B' ' 485' ' ' GLY . 50.8 mtmt -107.56 146.69 31.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.31 -45.94 83.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.68 -25.24 68.77 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 484' ' ' SER . . . . . 0.455 ' O ' ' N ' ' B' ' 486' ' ' THR . 25.9 p -125.91 14.83 7.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 485' ' ' GLY . . . . . 0.88 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.6 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 486' ' ' THR . . . . . 0.455 ' N ' ' O ' ' B' ' 484' ' ' SER . 16.0 p -126.04 113.94 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 487' ' ' MET . . . . . 0.596 ' HB3' HG22 ' B' ' 479' ' ' THR . 13.6 ttt -125.06 118.06 25.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -119.0 124.04 46.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 489' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 14.7 tp -131.7 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.36 -163.86 21.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 491' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.64 11.06 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 492' ' ' SER . . . . . 0.63 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 77.8 p 163.19 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.484 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.51 149.48 30.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.623 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 494' ' ' THR . . . . . 0.51 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.7 m -127.12 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -149.96 128.77 12.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -92.88 160.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.494 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 36.6 tpp -160.06 130.39 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -133.5 141.65 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -172.25 145.81 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.534 ' OD1' ' ND1' ' B' ' 466' ' ' HIS . 41.6 m-20 -91.25 125.2 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -120.72 160.17 23.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.5 m -94.22 131.81 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.58 122.39 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 91.0 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.97 -35.85 77.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.64 -19.85 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 28.4 t -135.49 73.5 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.616 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.59 -172.6 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.785 2.324 . . . . 0.0 112.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -58.78 -62.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.67 -49.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.16 72.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.65 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -63.02 -48.16 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.63 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.54 74.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -57.37 -44.31 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.17 -52.57 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.589 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.45 -47.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -57.96 -51.68 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.49 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.8 tpp -64.35 -49.39 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.58 -45.29 93.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -56.87 -41.43 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.64 -38.5 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.38 -24.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 525' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' B' ' 525' ' ' ARG . 55.1 ttt-85 -68.74 -27.64 66.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.8 t -84.99 -38.79 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.643 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.0 m -66.08 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.641 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 37.1 mt -64.97 -42.36 94.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 530' ' ' GLU . . . . . 0.956 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.34 -54.48 7.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.625 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 532' ' ' TYR . . . . . 0.704 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 13.3 m-85 -50.28 -86.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 533' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.42 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.575 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 534' ' ' GLY . . . . . 0.956 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.8 tptt -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -58.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -50.39 -53.21 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -53.26 -44.93 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 539' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 89.3 mt -61.7 -36.1 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.38 -42.05 92.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.32 48.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.463 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 15.1 mt -68.16 -51.35 46.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.726 0.298 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 544' ' ' ARG . . . . . 0.762 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.86 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 545' ' ' SER . . . . . 0.762 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 39.9 t -142.17 137.87 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.553 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.14 -43.52 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -82.86 138.62 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 548' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.47 122.1 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 551' ' ' ASP . 86.9 mt -79.47 112.73 31.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 550' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.0 Cg_exo -46.65 80.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.862 2.375 . . . . 0.0 112.087 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.565 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.31 145.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -129.91 116.14 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -85.23 -24.78 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 558' ' ' LEU . 65.8 tttm -52.58 -64.19 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -45.19 -56.66 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.706 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.58 -46.94 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.748 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 557' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.8 tm0? -65.77 -29.69 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 558' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 554' ' ' LYS . 40.9 tp -77.84 -30.27 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.62 -36.37 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.19 -40.52 81.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 561' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.6 mt-10 -67.8 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.893 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 85.1 mt -49.14 -40.64 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.7 m -61.23 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 16.9 pt20 -36.66 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.893 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 23.6 t -72.17 -42.67 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.587 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.3 mt -81.44 -35.64 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 567' ' ' THR . . . . . 0.408 ' H ' HG23 ' B' ' 567' ' ' THR . 4.4 p -70.23 -19.63 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -117.47 6.6 12.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.0 ttt180 -160.95 -141.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.815 ' O ' HG22 ' B' ' 571' ' ' ILE . 39.3 tt0 139.72 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 571' ' ' ILE . . . . . 0.815 HG22 ' O ' ' B' ' 570' ' ' GLN . 3.0 tp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 75.1 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 4.2 m 62.13 5.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 603' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' C' ' 603' ' ' ASP . 67.6 t0 -49.87 -37.77 32.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.66 -52.29 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.0 -28.98 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -75.61 -53.73 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 607' ' ' MET . . . . . 0.494 ' HG3' HD21 ' C' ' 632' ' ' LEU . 3.3 tmm? -72.7 -36.9 67.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -56.76 -15.97 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.578 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 609' ' ' ALA . . . . . 0.434 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.51 -50.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 610' ' ' LEU . . . . . 0.673 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.5 mp -66.36 2.06 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 611' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.9 tttm -102.13 -66.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -70.4 -4.21 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 613' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.94 58.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 614' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.3 m-20 -63.91 49.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.532 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 615' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.2 pp -45.06 -17.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 616' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' C' ' 614' ' ' ASP . 48.7 t0 -77.71 -27.56 50.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 617' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.6 tp10 -81.52 -49.78 10.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -28.43 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 619' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 36.6 ttmt -66.14 -21.88 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 620' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 96.5 m-20 -75.41 -45.39 39.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 621' ' ' TYR . . . . . 0.407 ' OH ' ' OD2' ' C' ' 627' ' ' ASP . 62.0 t80 -60.94 -59.17 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 10.3 m -57.71 -27.89 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 623' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.8 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -64.77 -76.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 625' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.86 82.45 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 626' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' C' ' 625' ' ' GLY . 9.5 tm-20 34.17 95.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 627' ' ' ASP . . . . . 0.407 ' OD2' ' OH ' ' C' ' 621' ' ' TYR . 64.9 t0 -140.96 62.65 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 628' ' ' VAL . . . . . 0.515 HG21 ' H ' ' C' ' 658' ' ' GLY . 10.3 m -121.98 77.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -173.09 5.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 630' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' C' ' 631' ' ' THR . 40.4 ttm180 -79.06 166.89 21.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.474 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.07 87.59 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.633 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 47.0 tp -31.27 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.69 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.423 ' OE1' HG13 ' A' ' 264' ' ' VAL . 6.9 tp10 -71.72 -76.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 634' ' ' GLY . . . . . 0.418 ' CA ' HH21 ' A' ' 266' ' ' ARG . . . -153.74 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 635' ' ' GLY . . . . . 0.531 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.78 0.18 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.92 164.88 21.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 637' ' ' LYS . . . . . 0.577 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.99 37.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 638' ' ' PRO . . . . . 0.475 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.5 Cg_endo -73.67 25.04 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.846 2.364 . . . . 0.0 112.111 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 639' ' ' LEU . . . . . 0.72 HD23 ' HG3' ' C' ' 671' ' ' PRO . 13.9 tp -117.72 -16.36 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 640' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' C' ' 674' ' ' SER . 86.3 t60 -75.23 -43.85 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.524 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -71.67 -35.92 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.557 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 642' ' ' ALA . . . . . 0.678 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.93 -44.99 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 644' ' ' ASP . . . . . 0.594 ' O ' ' OD1' ' C' ' 644' ' ' ASP . 27.4 t0 -60.67 -35.64 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.545 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 645' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.0 p -160.9 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 646' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.05 4.49 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 647' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.9 mm100 51.74 4.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 648' ' ' LEU . . . . . 0.973 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 7.01 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.526 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -115.74 -12.61 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 650' ' ' ILE . . . . . 0.865 ' O ' HD12 ' C' ' 654' ' ' LEU . 1.3 mm -87.47 -36.24 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 1.111 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.36 -52.88 61.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.558 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 652' ' ' GLU . . . . . 0.743 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 72.0 mm-40 -56.22 -22.61 30.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 653' ' ' PHE . . . . . 0.975 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.2 OUTLIER -75.78 -97.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.608 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 654' ' ' LEU . . . . . 0.978 HD22 ' O ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.41 6.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.622 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 655' ' ' LEU . . . . . 0.975 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.4 tp -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.19 -25.47 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.73 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 658' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.38 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 659' ' ' ALA . . . . . 0.713 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.09 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.563 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 660' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' C' ' 662' ' ' ASN . 97.7 m-20 -57.34 10.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 661' ' ' ILE . . . . . 0.713 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.6 tt -66.08 1.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 662' ' ' ASN . . . . . 1.113 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 49.6 p30 -163.63 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 663' ' ' ALA . . . . . 0.773 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.06 -33.69 0.28 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 664' ' ' PRO . . . . . 1.113 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 74.7 Cg_exo -46.93 120.87 4.48 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.834 2.356 . . . . 0.0 112.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -125.94 -50.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -78.79 -16.08 57.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 667' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.52 -6.28 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 668' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' C' ' 667' ' ' HIS . 51.0 p-80 40.62 37.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 669' ' ' ILE . . . . . 0.477 HG22 ' O ' ' C' ' 667' ' ' HIS . 15.7 tt -176.86 147.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.15 168.67 10.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 671' ' ' PRO . . . . . 0.72 ' HG3' HD23 ' C' ' 639' ' ' LEU . 37.1 Cg_endo -72.47 -30.5 12.31 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.53 HD12 HD23 ' C' ' 687' ' ' LEU . 7.6 tt -45.35 -49.11 13.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 673' ' ' LEU . . . . . 0.616 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 8.4 mp -67.83 -27.78 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 674' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.4 t -51.77 -40.89 61.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 675' ' ' ALA . . . . . 0.608 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.54 -29.97 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 676' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 20.8 t -47.24 -66.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 677' ' ' TYR . . . . . 0.564 ' CZ ' ' OG1' ' A' ' 249' ' ' THR . 0.1 OUTLIER -77.76 39.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 678' ' ' GLU . . . . . 0.608 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 71.3 mm-40 -124.54 -28.65 3.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.29 -11.35 72.32 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 66.7 m80 -71.93 -53.57 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.593 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 681' ' ' VAL . . . . . 0.754 ' O ' HG22 ' C' ' 684' ' ' VAL . 5.3 m 43.28 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.9 m -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 683' ' ' CYS . . . . . 0.659 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.6 p -90.93 -48.65 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 684' ' ' VAL . . . . . 0.754 HG22 ' O ' ' C' ' 681' ' ' VAL . 3.7 m -41.93 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 685' ' ' LYS . . . . . 0.851 ' O ' HD12 ' C' ' 688' ' ' LEU . 64.0 tttp -62.52 -73.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.99 1.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 687' ' ' LEU . . . . . 0.53 HD23 HD12 ' C' ' 672' ' ' LEU . 34.9 tp -81.85 -70.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 688' ' ' LEU . . . . . 1.347 HD13 ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.7 -21.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.516 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 689' ' ' SER . . . . . 1.347 ' N ' HD13 ' C' ' 688' ' ' LEU . 58.2 m -55.81 -21.51 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -99.64 -6.33 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 691' ' ' GLY . . . . . 1.087 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.87 0.42 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 692' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 110.579 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 693' ' ' ASP . . . . . 1.087 ' N ' ' O ' ' C' ' 691' ' ' GLY . 39.4 t0 33.12 -128.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 694' ' ' LYS . . . . . 0.493 ' O ' HG23 ' C' ' 695' ' ' THR . 24.6 pttm -152.51 -23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 695' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 694' ' ' LYS . 25.4 p -156.49 73.48 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.51 -29.6 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -140.14 23.5 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.626 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.76 20.36 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 699' ' ' PRO . . . . . 0.659 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 83.1 Cg_exo -44.82 -27.71 2.58 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.881 2.387 . . . . 0.0 112.114 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 700' ' ' ASP . . . . . 0.659 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 35.0 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 701' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 702' ' ' LEU . . . . . 0.646 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.0 tp -53.8 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.587 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 703' ' ' THR . . . . . 0.888 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 0.0 OUTLIER 16.19 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.585 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 704' ' ' ALA . . . . . 0.55 ' H ' HG23 ' C' ' 703' ' ' THR . . . -106.62 -18.64 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 705' ' ' LEU . . . . . 0.563 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.8 tp -62.89 -75.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.596 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.77 15.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 707' ' ' ALA . . . . . 0.888 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 708' ' ' THR . . . . . 0.437 HG22 ' H ' ' C' ' 709' ' ' ASP . 0.4 OUTLIER -139.76 -142.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.623 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 709' ' ' ASP . . . . . 0.437 ' H ' HG22 ' C' ' 708' ' ' THR . 54.5 p30 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -72.56 151.79 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -71.49 -20.51 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.4 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.99 -37.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -52.06 -29.93 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.18 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 716' ' ' LEU . . . . . 1.053 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.9 tp -161.08 98.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 717' ' ' LEU . . . . . 1.053 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.5 mp 124.14 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.597 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 718' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 7.5 tp-100 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.625 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.434 ' NH1' ' HG2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 8' ' ' VAL . 13.6 p -54.14 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.74 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -45.9 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.1 m-20 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.51 -39.3 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -41.0 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.69 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 10' ' ' ASP . 76.8 t -65.25 -43.78 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' NH2' ' CB ' ' A' ' 18' ' ' ALA . 8.8 tpm_? -61.53 -39.73 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.39 -47.45 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.93 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' CB ' ' NH2' ' A' ' 15' ' ' ARG . . . -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 38.2 ttmt -65.91 -41.28 91.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.51 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -65.24 -44.84 86.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.5 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.404 HG21 ' OE1' ' A' ' 56' ' ' GLN . 52.1 p -75.98 8.4 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.69 15.3 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.95 81.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 15.9 Cg_endo -68.19 167.52 21.77 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.819 2.346 . . . . 0.0 112.061 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 53.5 Cg_endo -70.95 116.25 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.691 2.26 . . . . 0.0 112.125 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.14 21.47 35.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 55.7 mp0 -149.3 37.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 54.7 p90 -73.93 -48.82 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.546 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.614 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 24.2 p-10 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' CD ' HH21 ' B' ' 315' ' ' ARG . 97.6 mt-10 -44.5 -54.42 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 36' ' ' VAL . 53.6 t -60.85 -42.44 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 31.9 t80 -59.2 -50.9 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -60.04 -37.87 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -64.16 -42.05 96.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 32' ' ' VAL . 97.0 t -66.97 -41.91 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.35 -54.8 41.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD13 ' SG ' ' B' ' 308' ' ' CYS . 58.1 mt -59.35 -34.75 72.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.27 -49.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HD22 ' B' ' 331' ' ' LEU . 13.4 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.62 49.7 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.481 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 67.0 m-20 -168.63 79.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.89 -37.92 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -54.11 -44.18 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.3 -30.84 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.57 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 39.7 tp -62.7 -38.74 91.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.586 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -66.21 -35.53 80.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -40.94 -59.86 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.85 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.12 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.52 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.517 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -54.26 -37.08 64.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.586 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.42 -54.41 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.6 -56.6 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.537 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 51.5 tt0 -33.55 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.08 -72.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.558 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -46.95 -30.89 2.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 61' ' ' GLN . 83.1 mtp -68.9 -66.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -67.85 9.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 12.2 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 83.1 m-85 23.95 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 28.1 m -58.85 111.3 3.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.616 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.64 115.19 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.897 2.398 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.632 HG22 ' N ' ' A' ' 66' ' ' LYS . 10.6 p -109.34 165.93 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.632 ' N ' HG22 ' A' ' 65' ' ' VAL . 63.0 tttm -125.19 103.98 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.654 ' O ' ' C ' ' A' ' 68' ' ' GLU . 44.5 mt -51.54 148.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.631 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.654 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.3 tm-20 -13.24 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.514 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.11 0.32 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.796 ' O ' ' N ' ' A' ' 72' ' ' ASP . 64.3 m-85 -137.48 14.75 2.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.582 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 70' ' ' TYR . 58.1 t0 20.14 39.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 1.064 ' O ' ' N ' ' A' ' 74' ' ' VAL . 37.7 t0 -98.75 19.44 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.707 ' C ' ' O ' ' A' ' 72' ' ' ASP . 74.3 mm-40 -0.3 50.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.064 ' N ' ' O ' ' A' ' 72' ' ' ASP . 13.7 p -63.98 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.733 ' N ' HG22 ' A' ' 74' ' ' VAL . 48.2 mt -113.28 152.26 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.553 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.2 mt -104.06 105.52 18.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' GLU . 2.8 t -130.13 -176.9 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 21.1 pt-20 -78.76 -31.29 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.516 ' CE1' HD13 ' A' ' 155' ' ' ILE . 87.2 m-70 -64.02 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.69 50.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.49 100.0 11.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 82' ' ' LEU . 35.1 tp -49.6 -51.54 36.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.66 25.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -116.1 1.19 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.22 -15.8 9.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.691 ' HG2' HH11 ' A' ' 86' ' ' ARG . 9.6 mtt-85 -108.41 168.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.527 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 54.2 m-85 -114.53 -170.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.0 tp -118.27 157.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.735 ' HB3' HD13 ' A' ' 94' ' ' ILE . 52.0 t0 -139.27 89.01 12.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.02 -36.71 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.852 2.368 . . . . 0.0 112.027 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.39 -75.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -76.48 -20.31 57.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 6.8 mtmp? 62.76 61.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.735 HD13 ' HB3' ' A' ' 89' ' ' ASP . 0.2 OUTLIER -146.48 154.43 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.818 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 3.5 t -92.62 133.04 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 32.7 p90 -140.14 136.62 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.696 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.1 tttt -88.67 113.37 24.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.869 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 51.8 t80 -82.63 133.09 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.642 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 2.4 m-20 -104.52 90.14 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.46 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.526 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.3 mm? -47.38 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -52.73 156.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.584 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -88.9 2.3 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -117.18 150.26 39.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.869 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.28 79.71 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.57 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 49.7 m -95.58 -164.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t0 73.76 54.48 0.28 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.818 ' HA ' ' O ' ' A' ' 95' ' ' SER . 57.4 Cg_endo -73.49 -177.81 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.859 2.373 . . . . 0.0 112.086 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.814 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.15 124.54 2.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -47.09 130.95 17.05 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.907 2.405 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.698 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 8.1 pt-20 -122.9 102.47 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.2 p-10 -75.44 88.4 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.1 t -46.95 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.616 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t 71.95 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.8 -59.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.669 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.08 3.35 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 119' ' ' GLN . 87.2 tttt -53.96 -41.94 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 118' ' ' LYS . 93.4 mm-40 -39.2 -55.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.51 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -62.54 -47.57 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.57 ' O ' ' C ' ' A' ' 122' ' ' ASP . 9.4 tmm_? -53.93 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 121' ' ' ARG . 42.2 t0 -25.51 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.19 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.2 m -51.15 -48.57 61.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.46 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.2 t0 -40.41 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 22.6 m -48.01 -46.23 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.47 33.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.73 -12.33 60.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.639 ' O ' ' NE ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.71 74.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.625 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.65 -39.25 24.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.557 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.1 t80 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 136' ' ' TYR . 6.4 p -74.75 -40.51 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.503 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.451 ' N ' HG13 ' A' ' 132' ' ' VAL . 51.8 tttm -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 73.5 m-20 -147.56 7.68 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.765 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 59.7 m-70 -151.04 -21.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 39.2 m-85 -114.69 106.54 51.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.64 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.796 2.331 . . . . 0.0 112.028 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -127.53 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.59 12.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.583 ' HB2' HD21 ' A' ' 75' ' ' LEU . 51.2 m-85 -135.07 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 0.0 110.594 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 2.5 p -129.51 162.27 28.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 98.7 m -161.37 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.5 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 46.1 t -75.78 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 57.4 m-85 -120.18 124.24 45.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.7 84.52 0.37 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.405 ' HG2' ' H ' ' A' ' 147' ' ' SER . 30.8 ttpt -123.78 167.37 14.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.855 0.359 . . . . 0.0 110.519 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.405 ' H ' ' HG2' ' A' ' 146' ' ' LYS . 14.6 p -107.58 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 35.6 mm -91.17 104.06 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 54.5 t0 46.72 54.22 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.82 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -53.77 129.79 34.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.325 . . . . 0.0 110.65 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.637 ' H ' HG21 ' A' ' 181' ' ' ILE . 79.5 mt-30 -85.73 150.48 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.396 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.5 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.506 HD13 HD21 ' A' ' 117' ' ' LEU . 9.1 mm -108.48 110.06 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 54.3 mt -98.12 117.09 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 116.06 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.229 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 52.9 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.76 137.71 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.521 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.32 151.93 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.978 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.725 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.89 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.251 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 1.2 p80 -140.66 170.61 15.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.965 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -148.65 77.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.218 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -65.36 147.45 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.608 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 38.1 tp60 -167.98 66.08 0.73 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.333 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.4 Cg_endo -60.7 -52.06 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.768 2.312 . . . . 0.0 112.14 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -43.94 -8.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.455 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 2.8 t-20 -121.93 -10.46 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.82 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 43.8 m-85 70.07 80.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.82 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 21.6 p-90 158.78 127.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.734 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ASN . . . . . 0.559 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 62.4 m-20 -135.98 162.31 33.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.17 29.05 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.7 136.64 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.706 0.288 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' TRP . . . . . 0.873 ' CE3' HD11 ' A' ' 194' ' ' ILE . 6.3 t-105 -107.6 138.91 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.894 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.55 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 95.4 mtt180 -125.32 152.24 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.212 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.423 ' HG ' ' C ' ' A' ' 174' ' ' ARG . 0.8 OUTLIER -166.27 111.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.031 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.64 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.1 tt0 -116.4 124.68 50.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.652 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 69.0 m95 -120.62 116.95 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -98.59 119.83 37.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.368 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.72 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.1 m-85 -117.52 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 80.9 p -50.13 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ILE . . . . . 0.756 ' O ' ' HB ' ' A' ' 182' ' ' THR . 9.7 tp -164.31 151.32 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.643 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' THR . . . . . 1.335 ' OG1' ' HG3' ' A' ' 184' ' ' PRO . 9.6 t 149.77 61.44 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 1.042 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 77.8 Cg_exo -34.38 12.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.413 2.742 . . . . 0.0 112.69 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' PRO . . . . . 1.335 ' HG3' ' OG1' ' A' ' 182' ' ' THR . 42.9 Cg_endo -79.79 -4.35 13.38 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.858 2.372 . . . . 0.0 112.172 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' THR . . . . . 1.037 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.1 OUTLIER 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.257 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.172 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.86 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.936 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 1.121 ' O ' HG23 ' A' ' 188' ' ' VAL . 78.1 mt-30 -106.7 -114.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.277 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.121 HG23 ' O ' ' A' ' 187' ' ' GLN . 4.6 t 145.65 173.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.748 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.348 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.64 2.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.7 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . 57.3 mt -85.57 157.8 20.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' LYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 27.0 mttt -150.33 147.82 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' ILE . . . . . 0.873 HD11 ' CE3' ' A' ' 173' ' ' TRP . 0.9 OUTLIER -149.43 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.262 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.501 ' OE1' ' NE2' ' A' ' 205' ' ' GLN . 6.9 tt0 -142.38 130.28 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.699 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.64 136.65 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.147 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 197' ' ' HIS . . . . . 0.761 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 76.7 t60 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.976 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 198' ' ' TYR . . . . . 0.521 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.5 t80 -145.59 87.07 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.9 t80 -100.03 87.78 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 200' ' ' GLU . . . . . 0.793 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 32.8 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ASP . . . . . 0.793 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.6 t0 114.84 2.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.42 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.67 -129.15 1.08 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.1 t -127.03 129.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' GLN . . . . . 0.699 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 29.6 tt0 -136.79 154.1 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.525 HD12 ' O ' ' B' ' 488' ' ' ASN . 10.6 tp -122.23 87.2 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.708 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 207' ' ' VAL . . . . . 0.435 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 16.4 t -90.03 122.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.412 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 6.1 p -149.61 147.23 27.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.409 . . . . 0.0 110.757 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -157.85 145.05 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.209 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -135.42 129.08 32.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.58 129.85 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 19.6 tt -127.15 154.93 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -150.19 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' ASP . . . . . 0.654 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.3 t0 -118.87 166.04 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.672 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 215' ' ' SER . . . . . 1.05 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 66.1 m -117.76 103.39 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.447 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 216' ' ' VAL . . . . . 1.172 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 70.6 t -91.96 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 217' ' ' GLN . . . . . 1.037 ' HA ' ' O ' ' A' ' 185' ' ' THR . 83.9 mt-30 -102.63 128.0 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 1.051 HG23 ' HB2' ' A' ' 186' ' ' ALA . 54.8 t -86.02 137.55 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.967 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.7 t -131.07 -99.06 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 220' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 224' ' ' THR . 3.5 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 221' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 221' ' ' ASP . 19.5 p-10 -86.8 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.457 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 14.5 p -70.05 -24.69 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.515 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -73.98 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.967 ' CG2' ' H ' ' A' ' 219' ' ' SER . 53.5 p -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 225' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.55 -57.13 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.439 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.04 -30.58 64.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.6 -38.7 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.449 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -67.79 -53.96 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 229' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.0 mm -52.16 -27.34 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.384 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -74.8 -36.78 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.373 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 231' ' ' ILE . . . . . 0.437 HG13 HG21 ' A' ' 216' ' ' VAL . 4.6 mm -67.49 -41.22 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.459 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 232' ' ' ILE . . . . . 0.49 HG23 ' CE2' ' A' ' 177' ' ' TRP . 49.8 mt -70.01 -44.53 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.06 -46.99 82.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -69.63 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.435 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.96 61.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 236' ' ' GLU . . . . . 0.435 ' OE2' ' OH ' ' A' ' 136' ' ' TYR . 68.6 tt0 -60.2 -44.13 95.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.487 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 237' ' ' ASN . . . . . 0.5 ' HA ' HH12 ' B' ' 544' ' ' ARG . 92.5 m-20 -60.0 -40.28 88.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.72 -34.37 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 239' ' ' TYR . . . . . 0.697 ' CE2' HD11 ' A' ' 243' ' ' ILE . 49.6 t80 -68.45 -44.38 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 240' ' ' GLN . . . . . 0.758 ' HA ' HD12 ' A' ' 243' ' ' ILE . 55.2 tt0 -68.19 -39.02 82.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 76.2 m -61.43 -45.82 92.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 243' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 240' ' ' GLN . 62.7 mt -69.25 -47.45 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 81.3 p -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.89 -42.94 84.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.563 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 246' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 250' ' ' MET . 98.6 m-20 -62.12 -34.59 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 247' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 250' ' ' MET . 0.7 OUTLIER -64.93 -31.92 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -73.18 -50.91 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 249' ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.8 p -64.78 -34.84 79.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.579 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 250' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 247' ' ' TYR . 2.5 ptp -72.86 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.1 p -113.0 -10.08 13.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 252' ' ' ASP . . . . . 0.626 ' O ' ' OG1' ' A' ' 253' ' ' THR . 38.5 t70 -132.13 47.74 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 253' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.4 m 175.72 -78.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 254' ' ' THR . . . . . 0.56 ' N ' HG22 ' A' ' 253' ' ' THR . 10.9 m -53.54 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -47.69 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.33 -18.16 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 259' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ2' ' B' ' 448' ' ' TRP . 0.1 OUTLIER -98.58 174.49 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 260' ' ' ARG . . . . . 0.999 ' O ' ' CZ ' ' B' ' 411' ' ' TYR . 32.9 mmt180 -109.19 153.24 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 261' ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' ' 262' ' ' LEU . 84.3 mt-30 -83.75 -11.2 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.63 133.28 3.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 263' ' ' PRO . . . . . 0.699 ' O ' ' N ' ' A' ' 266' ' ' ARG . 76.8 Cg_exo -44.0 135.44 7.96 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.895 2.397 . . . . 0.0 112.064 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 264' ' ' VAL . . . . . 0.455 HG23 ' N ' ' A' ' 265' ' ' THR . 6.2 m -37.8 -38.97 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 265' ' ' THR . . . . . 0.492 ' O ' HG22 ' A' ' 267' ' ' THR . 3.4 m -64.13 -5.5 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 266' ' ' ARG . . . . . 0.699 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.8 ttm180 54.2 55.58 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.5 t 173.25 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.4 mttt -16.79 131.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 269' ' ' ILE . . . . . 0.561 HD12 ' H ' ' A' ' 269' ' ' ILE . 3.7 mp -50.25 158.44 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.803 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.9 m-20 -117.02 58.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 271' ' ' TRP . . . . . 0.597 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.44 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 272' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.2 t-20 -44.65 -25.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 273' ' ' LYS . . . . . 1.248 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 4.9 tttt -99.96 -7.73 24.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 274' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 274' ' ' ILE . 0.7 OUTLIER -103.24 -1.13 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 275' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 276' ' ' SER . 8.6 mt -111.16 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 276' ' ' SER . . . . . 1.297 ' O ' ' N ' ' A' ' 278' ' ' LYS . 8.0 m 141.9 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 1.248 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 78.4 t80 -31.02 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 278' ' ' LYS . . . . . 1.297 ' N ' ' O ' ' A' ' 276' ' ' SER . 64.8 tttp -107.72 80.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' A' ' 280' ' ' GLY . 96.1 mt 54.18 3.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 1.069 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.51 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 302' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 7.4 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -42.8 -51.2 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -55.33 -34.16 63.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.6 mt-30 -60.74 -49.07 78.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.4 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.29 -40.59 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.41 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.96 -40.79 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.356 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 308' ' ' CYS . . . . . 0.429 ' SG ' HD13 ' A' ' 38' ' ' LEU . 79.6 m -68.13 -37.17 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.25 -42.09 96.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.36 -38.36 84.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.36 -33.65 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.78 -43.74 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.6 mmm -64.36 -25.64 68.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.381 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.28 -12.37 58.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 315' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' B' ' 315' ' ' ARG . 27.4 mmt-85 -100.09 -46.89 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.519 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.56 147.72 95.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.6 128.41 20.91 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 122.838 2.359 . . . . 0.0 112.026 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 318' ' ' PRO . . . . . 0.498 ' HA ' HG12 ' B' ' 321' ' ' ILE . 38.4 Cg_endo -71.48 -4.07 14.27 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.88 2.387 . . . . 0.0 112.056 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -80.53 -17.79 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -123.96 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.497 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 321' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' B' ' 318' ' ' PRO . 4.8 mm -63.41 -40.92 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.541 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.72 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -54.61 -54.4 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.504 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -54.72 -55.78 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 42.9 tp -47.12 -48.95 22.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.6 t -57.02 -49.78 74.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.417 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 63.7 tp -55.56 -40.98 72.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.53 -41.15 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.396 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.77 -37.95 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.458 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 331' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.2 mt -71.26 -29.06 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.411 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.6 84.62 9.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.1 -5.6 15.15 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.774 2.316 . . . . 0.0 112.059 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.29 -6.47 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 95.4 mt -119.01 20.86 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.1 -55.87 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.39 -50.44 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.72 -36.18 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 339' ' ' LEU . . . . . 0.479 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 71.6 mt -79.06 -28.66 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 340' ' ' LEU . . . . . 0.639 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 41.6 mt -81.45 12.39 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.5 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.1 t -119.39 -15.48 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.85 120.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.85 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.465 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 6.1 pt20 -129.27 165.94 28.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 346' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 84.9 Cg_exo -44.48 125.24 5.89 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.796 2.331 . . . . 0.0 112.168 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 347' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 347' ' ' LEU . 93.9 mt -66.63 122.46 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -88.62 148.77 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 21.1 tt -102.94 136.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.72 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' ALA . . . . . 0.725 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.66 33.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.463 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -114.37 143.36 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.571 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.963 ' O ' ' N ' ' B' ' 356' ' ' GLY . 64.2 t0 -111.94 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 64.1 mttp -37.25 -62.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 93.7 t -39.51 -52.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 5.9 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.65 70.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 30.7 mmtp -115.06 154.92 27.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 358' ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.9 m-20 -94.76 143.05 26.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.681 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.73 33.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.19 156.68 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.423 HD22 ' CG ' ' B' ' 371' ' ' TYR . 66.1 mt -108.57 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 362' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 21.5 p -168.2 168.66 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 363' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.2 p-10 -75.54 -10.28 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 364' ' ' TYR . . . . . 0.504 ' O ' ' CE2' ' B' ' 420' ' ' TYR . 87.5 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 365' ' ' ASN . . . . . 0.455 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 51.2 p30 -123.25 24.76 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 366' ' ' ARG . . . . . 0.515 ' NH1' ' OH ' ' B' ' 371' ' ' TYR . 56.4 ttt180 -119.98 129.87 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -122.18 99.5 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.03 -98.7 1.74 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -126.32 8.77 7.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.577 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 370' ' ' SER . . . . . 1.019 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 78.3 p -122.4 161.32 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 371' ' ' TYR . . . . . 1.1 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.8 m-85 -118.26 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 372' ' ' ARG . . . . . 0.534 ' NH2' ' OH ' ' B' ' 420' ' ' TYR . 4.9 mtp180 -98.76 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 373' ' ' SER . . . . . 0.588 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 87.4 p -79.62 133.77 58.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.789 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 374' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.6 Cg_exo -75.81 -14.82 19.3 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.857 2.371 . . . . 0.0 112.227 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -85.86 -66.28 0.92 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 376' ' ' SER . . . . . 0.493 ' HG ' ' HG ' ' B' ' 373' ' ' SER . 68.0 p -83.14 -18.6 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 377' ' ' ASN . . . . . 0.588 ' HA ' ' O ' ' B' ' 373' ' ' SER . 49.6 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -141.56 137.91 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 379' ' ' TYR . . . . . 1.1 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.8 140.45 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.614 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 380' ' ' ASP . . . . . 0.876 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.97 -60.41 6.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.369 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 1.019 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.1 Cg_exo -65.43 120.04 7.17 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.957 2.438 . . . . 0.0 112.327 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.61 79.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.984 2.456 . . . . 0.0 112.246 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.611 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.2 tp -84.51 177.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.533 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -111.64 -72.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.02 66.02 0.72 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 386' ' ' GLY . . . . . 0.85 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.23 151.74 47.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -63.98 127.29 30.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 388' ' ' MET . . . . . 0.474 ' O ' ' SD ' ' B' ' 388' ' ' MET . 0.0 OUTLIER -132.31 148.6 70.36 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.98 150.76 49.32 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.119 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 142.92 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.63 -43.73 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -67.95 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 393' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.89 -42.42 70.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -55.32 -36.8 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.54 -46.56 85.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.44 -31.94 73.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.262 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -67.85 -38.05 82.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.06 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.436 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.74 -36.96 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.91 94.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 401' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.0 t-20 -63.91 -39.08 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.12 -40.41 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.375 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 403' ' ' ALA . . . . . 0.864 ' HB1' HD11 ' A' ' 274' ' ' ILE . . . -63.65 -47.96 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.394 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.31 -29.29 67.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 54.1 m-20 -54.57 -38.83 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.18 -32.78 56.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -69.79 -18.64 63.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 408' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 4.3 ttm180 -83.84 -35.46 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 409' ' ' ASP . . . . . 0.518 ' OD2' ' NZ ' ' C' ' 604' ' ' LYS . 17.0 t0 -85.2 -9.0 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 410' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 43.5 mt -95.8 -17.89 20.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 411' ' ' TYR . . . . . 0.999 ' CZ ' ' O ' ' A' ' 260' ' ' ARG . 1.7 t80 -118.89 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 77.1 m-85 -100.58 -25.98 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 63.53 24.34 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.77 -154.49 25.46 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.38 -163.46 52.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 16.3 t -128.7 153.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.331 . . . . 0.0 110.447 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 47.4 t -143.57 148.52 36.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 26.4 t -148.21 143.99 27.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 97.2 t -132.9 130.21 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.534 ' OH ' ' NH2' ' B' ' 372' ' ' ARG . 77.5 t80 -128.5 132.43 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 158.4 26.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.686 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 422' ' ' TRP . . . . . 0.918 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.0 p-90 -154.5 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -43.01 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 424' ' ' LEU . . . . . 0.763 HD21 ' CZ3' ' B' ' 422' ' ' TRP . 55.1 mt -127.86 -147.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 425' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 52.6 t0 -87.34 -49.87 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -129.8 30.73 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.7 -135.64 2.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -170.71 154.13 4.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.533 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 429' ' ' ALA . . . . . 0.918 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -124.04 172.79 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.68 35.02 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.03 126.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.56 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 113.72 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' B' ' 450' ' ' SER . 30.8 mt -102.88 143.14 32.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 434' ' ' ILE . . . . . 0.492 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.6 mt -148.71 119.92 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -122.56 127.53 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 436' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.19 119.63 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.91 138.15 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.07 179.47 45.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.73 128.11 19.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.75 76.05 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.5 p -110.34 -4.25 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -89.22 153.91 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 443' ' ' LYS . . . . . 0.545 ' NZ ' ' CD2' ' C' ' 677' ' ' TYR . 6.1 pttm -56.94 -43.77 81.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 444' ' ' ILE . . . . . 0.425 ' H ' ' HG3' ' B' ' 443' ' ' LYS . 60.1 mt -95.16 135.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.689 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -105.75 154.73 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.356 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.77 152.4 24.51 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 8.1 t -149.44 130.65 14.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 448' ' ' TRP . . . . . 0.728 ' CZ2' ' CZ ' ' A' ' 259' ' ' ARG . 6.7 t-105 -114.81 116.22 28.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.817 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 449' ' ' ASP . . . . . 0.51 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.0 m-20 -109.43 127.18 54.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.288 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 450' ' ' SER . . . . . 0.559 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.3 m -115.92 122.78 46.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 88.9 mt -127.91 100.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 3.3 m170 -108.66 132.41 53.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.813 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 453' ' ' VAL . . . . . 0.709 ' O ' HG22 ' B' ' 470' ' ' THR . 0.1 OUTLIER -128.74 95.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.217 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.1 p -96.69 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -131.84 102.22 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.318 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 456' ' ' VAL . . . . . 0.408 HG22 ' CE2' ' B' ' 467' ' ' TYR . 99.5 t -79.1 139.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -123.51 68.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 458' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.9 mt-10 -40.22 146.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 459' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' B' ' 464' ' ' THR . 28.7 tptp -109.37 141.97 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.93 -54.15 16.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.655 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.75 146.57 50.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 462' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.76 48.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 59.17 -0.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.685 0.278 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 462' ' ' GLY . 9.6 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 465' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.76 151.9 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.729 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -92.98 126.53 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.381 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 467' ' ' TYR . . . . . 0.408 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.3 m-85 -103.15 139.44 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -135.81 86.18 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 157.55 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 470' ' ' THR . . . . . 0.76 ' O ' HG23 ' B' ' 470' ' ' THR . 15.1 t -157.85 62.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.077 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 471' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 11.9 p -64.65 174.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 472' ' ' THR . . . . . 0.731 HG23 HG22 ' B' ' 494' ' ' THR . 6.2 m -168.77 87.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.113 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 473' ' ' VAL . . . . . 0.472 HG11 ' CH2' ' B' ' 448' ' ' TRP . 98.5 t -69.72 143.85 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 474' ' ' MET . . . . . 0.51 ' HB3' ' HB2' ' B' ' 449' ' ' ASP . 0.6 OUTLIER -124.82 96.05 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 475' ' ' LEU . . . . . 0.713 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.8 OUTLIER -86.67 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 476' ' ' TRP . . . . . 0.713 ' N ' HD23 ' B' ' 475' ' ' LEU . 1.6 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 33.7 mt -137.36 124.71 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.954 0.406 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 478' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' B' ' 479' ' ' THR . 41.4 tt0 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 479' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 478' ' ' GLN . 1.8 t -163.46 127.52 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 480' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 90.0 m-20 -108.23 73.81 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 481' ' ' LYS . . . . . 0.875 ' O ' ' N ' ' B' ' 485' ' ' GLY . 3.4 ttmp? -107.66 146.68 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 60.9 p -57.31 -45.98 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.6 -25.26 68.67 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 484' ' ' SER . . . . . 0.447 ' O ' ' C ' ' B' ' 485' ' ' GLY . 51.8 p -125.92 14.85 7.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 110.611 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 485' ' ' GLY . . . . . 0.875 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.61 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 486' ' ' THR . . . . . 0.446 ' N ' ' O ' ' B' ' 484' ' ' SER . 15.1 p -126.0 113.91 17.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 487' ' ' MET . . . . . 0.678 ' SD ' HG12 ' A' ' 243' ' ' ILE . 2.5 ttm -125.07 118.04 25.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 488' ' ' ASN . . . . . 0.525 ' O ' HD12 ' A' ' 206' ' ' LEU . 25.5 m-20 -119.0 123.97 45.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 489' ' ' LEU . . . . . 0.439 ' HB2' HD13 ' A' ' 206' ' ' LEU . 13.4 tp -131.65 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.79 21.79 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 491' ' ' GLY . . . . . 0.628 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.82 -142.65 11.08 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 492' ' ' SER . . . . . 0.628 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 74.3 p 163.2 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 493' ' ' LEU . . . . . 0.526 HD22 ' C ' ' B' ' 492' ' ' SER . 4.3 mm? -110.55 149.5 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 494' ' ' THR . . . . . 0.731 HG22 HG23 ' B' ' 472' ' ' THR . 2.5 p -127.18 142.86 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.478 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 495' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.3 mmt180 -149.95 128.7 12.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -92.83 160.59 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.6 tpp -160.04 130.44 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.662 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 498' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.8 pm0 -133.5 141.57 47.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.551 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -172.2 145.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.0 p-10 -91.21 125.2 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -120.75 160.17 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 72.4 p -94.24 131.85 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.61 122.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 18.6 p -143.02 -177.23 5.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.9 -35.84 77.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.66 -19.85 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 27.6 t -135.5 73.45 62.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 508' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.0 Cg_exo -72.5 -172.58 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.799 2.333 . . . . 0.0 112.145 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -58.82 -62.69 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 510' ' ' ILE . . . . . 0.608 HD12 ' H ' ' B' ' 510' ' ' ILE . 3.7 mp -42.7 -49.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.621 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 511' ' ' ALA . . . . . 0.465 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -54.92 -49.32 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.97 -48.14 80.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.08 -33.61 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.58 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 514' ' ' GLY . . . . . 0.518 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.72 -46.63 73.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -57.35 -44.31 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.27 . . . . 0.0 110.745 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.19 -52.52 62.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.5 -47.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.93 -51.71 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.746 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 519' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.9 t0 -63.52 -37.54 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.34 -49.44 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 521' ' ' GLU . . . . . 0.576 ' CG ' HH22 ' A' ' 259' ' ' ARG . 37.3 mt-10 -62.54 -45.33 93.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 522' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 56.3 t-20 -56.93 -41.41 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -70.62 -38.5 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 524' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' B' ' 524' ' ' ILE . 26.7 mm -74.36 -24.41 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 525' ' ' ARG . . . . . 0.666 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.62 66.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.675 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 526' ' ' SER . . . . . 0.528 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 28.2 t -85.04 -38.71 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.1 m -66.08 -35.75 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 65.7 mt -65.0 -42.37 94.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.51 -31.29 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 530' ' ' GLU . . . . . 0.97 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.37 -54.43 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.37 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 532' ' ' TYR . . . . . 0.677 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 17.2 m-85 -50.26 -86.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 533' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.74 40.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 534' ' ' GLY . . . . . 0.97 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 29.0 mmtp -56.96 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.549 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.5 p -34.81 -57.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -50.39 -53.22 30.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -53.29 -44.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 539' ' ' ILE . . . . . 0.469 HG21 HG13 ' A' ' 196' ' ' VAL . 91.3 mt -61.78 -36.03 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.46 -41.94 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.656 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -69.82 -17.13 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.35 48.0 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.458 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.12 -51.42 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.441 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 544' ' ' ARG . . . . . 0.765 ' HG2' ' O ' ' A' ' 135' ' ' HIS . 2.1 tmt_? -141.81 170.12 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.661 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 545' ' ' SER . . . . . 0.642 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.7 t -142.18 137.87 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 546' ' ' ILE . . . . . 0.544 HG23 ' N ' ' B' ' 547' ' ' ASP . 21.1 tt -69.05 -43.56 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 547' ' ' ASP . . . . . 0.544 ' N ' HG23 ' B' ' 546' ' ' ILE . 64.8 t0 -82.91 138.56 33.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.43 122.06 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 551' ' ' ASP . 73.7 mt -79.5 112.7 30.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.3 Cg_exo -46.49 80.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.926 2.418 . . . . 0.0 112.085 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 54.6 p-10 -25.37 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 552' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 43.6 p-10 -129.85 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -85.25 -24.81 27.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.67 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 558' ' ' LEU . 87.5 tttt -52.59 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 555' ' ' TYR . . . . . 0.548 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.4 m-85 -45.25 -56.66 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.643 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -57.6 -46.9 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.732 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.83 -29.69 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 558' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.9 tp -77.76 -30.3 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -73.62 -36.36 65.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.682 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 560' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' B' ' 560' ' ' ARG . 50.8 ttt-85 -58.2 -40.52 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 561' ' ' GLU . . . . . 0.947 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.0 mm-40 -67.84 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.743 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 82.5 mt -49.11 -40.65 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.683 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 563' ' ' SER . . . . . 0.797 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.9 m -61.19 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.694 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.457 ' OE1' ' NE2' ' B' ' 568' ' ' GLN . 7.1 tt0 -36.72 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.947 HG23 ' O ' ' B' ' 561' ' ' GLU . 64.4 t -72.14 -42.63 67.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.625 ' N ' HD22 ' B' ' 566' ' ' LEU . 4.0 mm? -81.53 -35.55 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.5 p -70.25 -19.67 63.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 568' ' ' GLN . . . . . 0.457 ' NE2' ' OE1' ' B' ' 564' ' ' GLN . 79.9 mt-30 -117.47 6.62 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 22.1 ttm180 -160.99 -141.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.498 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.834 ' O ' HG22 ' B' ' 571' ' ' ILE . 39.1 tt0 139.78 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 571' ' ' ILE . . . . . 0.834 HG22 ' O ' ' B' ' 570' ' ' GLN . 13.9 tt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.517 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -49.79 -37.81 31.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 604' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' B' ' 409' ' ' ASP . 90.1 mttt -69.76 -52.18 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -55.05 -28.98 56.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -75.65 -53.62 8.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 607' ' ' MET . . . . . 0.483 ' CE ' ' OE2' ' C' ' 633' ' ' GLU . 46.9 ttp -72.81 -36.83 67.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -56.72 -16.01 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 609' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.69 13.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 610' ' ' LEU . . . . . 0.576 HD21 HG21 ' C' ' 618' ' ' VAL . 13.9 mt -66.22 1.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 611' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' C' ' 609' ' ' ALA . 62.8 tttp -102.04 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -70.39 -4.24 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 613' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.88 58.45 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 614' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.5 m-20 -63.89 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 615' ' ' LEU . . . . . 0.955 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.8 tm? -45.05 -17.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' C' ' 614' ' ' ASP . 95.9 m-20 -77.69 -27.59 50.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 617' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.47 -49.86 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 618' ' ' VAL . . . . . 0.576 HG21 HD21 ' C' ' 610' ' ' LEU . 9.9 p -62.85 -28.39 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 619' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 33.4 ttmt -66.21 -21.88 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.498 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 620' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 63.0 t0 -75.32 -45.49 39.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -60.92 -59.19 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.71 -27.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 623' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.73 -16.76 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.79 -76.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.8 82.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.7 pt-20 34.26 95.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.84 0.353 . . . . 0.0 110.598 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 627' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 54.6 p30 -140.97 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 628' ' ' VAL . . . . . 0.662 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.5 t -121.97 76.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -172.99 5.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 630' ' ' ARG . . . . . 0.414 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.6 mtt-85 -79.0 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 631' ' ' THR . . . . . 0.5 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.09 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.595 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 632' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' C' ' 631' ' ' THR . 40.7 tp -31.38 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.483 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 68.2 mm-40 -71.73 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.35 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 635' ' ' GLY . . . . . . . . . . . . . . . -163.45 22.72 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -127.91 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 637' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' C' ' 639' ' ' LEU . 12.7 mptt -108.42 157.0 37.63 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.67 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.855 2.37 . . . . 0.0 112.135 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 639' ' ' LEU . . . . . 0.479 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.76 -16.27 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.544 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -75.28 -43.83 49.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -71.68 -36.03 70.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 642' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -44.93 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.49 62.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 644' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.65 -35.63 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 5.3 p -160.91 65.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.601 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 646' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.03 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 647' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.1 mm100 51.62 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.325 . . . . 0.0 110.577 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 648' ' ' LEU . . . . . 0.949 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 7.03 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 649' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 647' ' ' GLN . 2.9 mp0 -115.79 -12.62 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.47 -36.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 1.106 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.31 -52.94 61.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.543 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 652' ' ' GLU . . . . . 0.77 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 91.0 mt-10 -56.18 -22.62 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.6 OUTLIER -75.83 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 654' ' ' LEU . . . . . 1.018 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.9 OUTLIER -41.45 6.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 10.6 tp -102.97 -47.87 4.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.27 -25.33 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 657' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' C' ' 658' ' ' GLY . 16.4 tptp -72.84 -90.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.508 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 658' ' ' GLY . . . . . 0.595 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.31 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 659' ' ' ALA . . . . . 0.709 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.07 33.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.599 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 660' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' C' ' 662' ' ' ASN . 90.1 m-20 -57.37 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 661' ' ' ILE . . . . . 0.709 ' H ' ' C ' ' C' ' 659' ' ' ALA . 0.0 OUTLIER -66.05 1.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 662' ' ' ASN . . . . . 1.102 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.5 p30 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 663' ' ' ALA . . . . . 0.752 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.15 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 664' ' ' PRO . . . . . 1.102 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 86.6 Cg_exo -46.98 120.83 4.48 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.928 2.419 . . . . 0.0 112.094 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -125.91 -50.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -78.79 -16.14 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 667' ' ' HIS . . . . . 0.555 ' N ' ' ND1' ' C' ' 667' ' ' HIS . 0.6 OUTLIER -80.48 -6.29 57.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 40.61 37.27 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 669' ' ' ILE . . . . . 0.522 HG22 ' O ' ' C' ' 667' ' ' HIS . 18.1 tt -176.89 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.57 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 670' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.19 168.7 10.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 671' ' ' PRO . . . . . 0.472 ' O ' ' OG ' ' C' ' 674' ' ' SER . 49.9 Cg_endo -72.51 -30.49 12.21 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.789 2.326 . . . . 0.0 112.109 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 23.7 tp -45.33 -49.11 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 673' ' ' LEU . . . . . 0.633 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.85 -27.79 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 674' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 19.5 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 675' ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.56 -30.04 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 676' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 13.2 t -47.16 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 677' ' ' TYR . . . . . 0.545 ' CD2' ' NZ ' ' B' ' 443' ' ' LYS . 1.2 m-85 -77.82 39.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -124.54 -28.68 3.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.0 m-70 -71.94 -53.58 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 0.0 110.55 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 681' ' ' VAL . . . . . 0.776 ' O ' HG22 ' C' ' 684' ' ' VAL . 10.7 m 43.28 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.1 m -67.45 -24.28 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 683' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 0.9 OUTLIER -91.0 -48.61 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 684' ' ' VAL . . . . . 0.776 HG22 ' O ' ' C' ' 681' ' ' VAL . 3.8 m -41.9 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 685' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' C' ' 687' ' ' LEU . 25.6 mtpp -62.55 -73.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.91 1.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 687' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.1 tp -81.85 -70.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 688' ' ' LEU . . . . . 0.692 HD12 ' O ' ' C' ' 691' ' ' GLY . 16.8 tp -45.64 -21.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.491 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 689' ' ' SER . . . . . 0.419 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.3 m -55.7 -21.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -99.58 -6.32 27.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 691' ' ' GLY . . . . . 1.081 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 693' ' ' ASP . . . . . 1.081 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.4 t0 33.19 -128.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -152.5 -23.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 5.4 m -156.53 73.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.5 t -93.51 -29.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -140.16 23.59 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.69 142.78 20.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 699' ' ' PRO . . . . . 0.66 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 84.6 Cg_exo -44.83 -27.74 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.845 2.363 . . . . 0.0 112.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 700' ' ' ASP . . . . . 0.66 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.8 t70 157.73 -112.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 701' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 702' ' ' LEU . . . . . 0.648 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.3 tp -53.83 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 81.9 p 16.2 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 704' ' ' ALA . . . . . 0.601 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.63 -18.59 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 705' ' ' LEU . . . . . 0.557 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.6 tp -62.89 -75.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.547 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 706' ' ' GLU . . . . . 0.401 ' HB3' HD13 ' C' ' 702' ' ' LEU . 15.4 tp10 -80.67 15.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.498 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 708' ' ' THR . . . . . 0.437 ' O ' ' OD1' ' C' ' 709' ' ' ASP . 56.9 p -139.77 -142.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 709' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 708' ' ' THR . 77.9 m-20 -148.87 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -72.57 151.84 42.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -71.54 -20.5 62.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.36 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 12.2 mt -70.02 -37.68 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -51.99 -29.95 22.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 716' ' ' LEU . . . . . 0.826 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 717' ' ' LEU . . . . . 0.826 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 11.9 mt 124.12 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.575 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 718' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 41.5 tp60 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.616 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 7' ' ' ARG . 57.2 ttt-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.17 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.0 p -45.88 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' VAL . 99.3 m-20 -64.93 -33.59 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.52 -39.31 87.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.8 mt-10 -67.61 -40.89 84.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.625 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -63.7 -35.91 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' ASP . 66.0 t -65.24 -43.77 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.53 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.412 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.3 mtm180 -61.62 -39.73 92.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.34 -47.39 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.9 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.67 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.9 -41.37 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.14 -44.84 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.66 -46.52 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 p -75.97 8.47 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.72 15.36 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.49 146.92 81.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.6 Cg_endo -68.2 167.56 21.67 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.751 2.301 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -70.97 116.22 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.095 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.44 35.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 42.8 mt-10 -149.28 37.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.781 0.324 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.91 -48.79 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -57.12 -57.35 12.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 42.0 mp0 -44.49 -54.43 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.78 -42.51 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.647 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 39.0 t80 -59.18 -50.88 72.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.03 -37.96 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.05 -42.12 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.04 -41.86 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.605 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.36 -54.82 41.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.36 -34.72 72.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.19 -49.81 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 67.1 t30 46.66 49.66 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.509 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 46.5 m-20 -168.64 79.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.649 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -51.85 -37.91 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.18 -44.17 71.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -77.35 -30.82 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.6 tp -62.73 -38.75 91.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.554 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.13 -35.59 80.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -40.97 -59.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.2 -56.82 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.5 87.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.34 -37.01 64.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.552 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.38 12.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -46.56 -56.57 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.63 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.564 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.3 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.04 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -46.95 -30.99 2.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.503 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.7 ttp -68.8 -66.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.87 10.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.619 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.5 mm100 -124.54 24.73 7.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.3 m-30 23.9 44.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.517 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.4 m -58.84 111.35 3.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.601 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.67 115.18 4.13 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.949 2.433 . . . . 0.0 112.199 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.631 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.3 p -109.42 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.631 ' N ' HG22 ' A' ' 65' ' ' VAL . 87.1 tttt -125.11 103.91 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.64 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.872 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.52 148.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.627 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.872 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.2 tm-20 -13.27 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.43 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.45 14.79 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.621 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.603 ' C ' ' O ' ' A' ' 70' ' ' TYR . 66.2 t0 20.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 1.055 ' O ' ' N ' ' A' ' 74' ' ' VAL . 9.5 t70 -98.74 19.43 14.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.4 mm100 -0.3 50.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.055 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.719 ' N ' HG22 ' A' ' 74' ' ' VAL . 57.6 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.526 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.5 mt -104.07 105.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.1 -176.92 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.79 -31.27 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.413 ' CE1' HD13 ' A' ' 155' ' ' ILE . 95.4 m-70 -64.03 -23.58 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.19 15.65 50.61 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -85.53 100.01 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 0.0 110.597 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 86' ' ' ARG . 56.0 tp -49.65 -51.5 37.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.65 25.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.734 0.302 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.18 -15.72 9.35 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.543 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.3 OUTLIER -108.38 168.75 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.586 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.55 -170.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' GLY . 63.9 mt -118.3 157.4 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.699 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.5 t0 -139.38 88.99 12.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.434 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -60.95 -36.68 81.87 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.827 2.351 . . . . 0.0 112.033 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.45 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.674 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.4 t-20 -76.46 -20.4 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.699 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 52.9 mtmt 62.81 62.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.658 HD13 ' OD1' ' A' ' 92' ' ' ASN . 24.1 pt -146.44 154.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.828 ' O ' ' N ' ' A' ' 109' ' ' GLN . 3.8 t -92.71 133.05 36.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.707 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.0 p90 -140.15 136.65 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.694 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 17.7 ttmm -88.71 113.38 24.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.556 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.883 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.9 t80 -82.63 133.08 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.605 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 102' ' ' ARG . 9.0 t70 -104.59 90.17 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.516 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.43 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -47.43 -81.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.86 156.34 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -88.88 2.27 54.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 104' ' ' GLU . 48.9 mp0 -117.24 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.3 m -95.56 -164.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.79 54.49 0.28 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.539 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.825 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.55 -177.74 3.26 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.791 2.328 . . . . 0.0 112.123 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.828 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.7 mt-30 -160.15 124.51 2.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.09 131.0 17.09 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.818 2.346 . . . . 0.0 112.045 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -122.89 102.44 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.45 88.45 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 82.1 p -46.91 164.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.07 -30.05 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.93 35.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.78 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.11 3.38 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' GLN . 10.6 mmtp -54.03 -41.9 68.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.477 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' LYS . 84.2 mt-30 -39.17 -55.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -62.55 -47.56 83.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.1 tmm_? -53.94 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.567 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.9 m-20 -25.46 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.01 -67.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.14 -48.49 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.446 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.1 t70 -40.48 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 32.0 m -47.97 -46.24 32.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.85 -12.21 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.641 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.42 -32.77 74.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.609 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.57 -39.3 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.547 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.0 t80 -54.74 -38.79 67.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 134' ' ' ASP . 88.3 t -74.75 -40.54 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.49 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.3 mttt -76.14 25.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.58 7.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.702 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.7 m80 -151.07 -21.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.8 m-85 -114.74 106.44 52.02 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.463 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.57 -57.15 2.36 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.75 2.3 . . . . 0.0 112.081 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -127.55 50.1 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.562 ' HB2' HD21 ' A' ' 75' ' ' LEU . 50.2 m-85 -135.06 158.14 45.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.51 162.27 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.6 m -161.35 97.36 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.3 t -75.74 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.579 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.6 m-85 -120.22 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.553 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.76 84.5 0.37 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -123.76 167.43 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.2 t -107.63 115.43 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.609 HG22 ' OD2' ' A' ' 149' ' ' ASP . 14.0 mt -91.24 104.12 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.609 ' OD2' HG22 ' A' ' 148' ' ' ILE . 3.0 p30 46.63 54.19 9.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.89 -62.78 4.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -53.79 129.85 34.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.644 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.631 ' HB3' HD22 ' A' ' 117' ' ' LEU . 35.0 mt-30 -85.82 150.49 24.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.719 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.1 t -155.27 146.11 22.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.719 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 179' ' ' PHE . 4.8 mp -108.46 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.13 117.1 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 115.99 27.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.295 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 85.7 m -106.1 135.41 47.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 158' ' ' ILE . 13.8 mt -122.76 137.73 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.192 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.519 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.37 151.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 0.0 111.051 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.88 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.212 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 161' ' ' HIS . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.62 170.62 15.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.964 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -148.66 77.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.43 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.983 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.465 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.96 66.08 0.73 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.673 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.2 Cg_endo -60.72 -52.03 4.23 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.733 2.289 . . . . 0.0 112.144 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.91 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.673 ' N ' ' O ' ' A' ' 165' ' ' PRO . 11.9 m120 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.834 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 57.3 m-85 70.02 80.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.834 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.4 p-90 158.76 127.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.95 162.3 33.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.38 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.82 163.15 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.619 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 26.9 ttp180 -165.73 136.61 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' TRP . . . . . 0.733 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.5 t-105 -107.53 138.91 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.503 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 56.0 mtm180 -125.37 152.27 45.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.199 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.32 111.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.635 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.7 tt0 -116.42 124.7 50.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.114 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.706 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 67.9 m95 -120.61 116.93 26.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.944 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.57 119.85 37.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.719 ' O ' ' HA ' ' A' ' 153' ' ' THR . 33.5 m-85 -117.53 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.755 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.679 ' O ' ' O ' ' A' ' 179' ' ' PHE . 17.6 p -50.11 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 182' ' ' THR . 0.1 OUTLIER -164.33 151.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.922 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.4 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.47 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 1.062 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 89.0 Cg_exo -34.26 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.415 2.743 . . . . 0.0 112.738 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' PRO . . . . . 0.922 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.1 Cg_endo -79.8 -4.35 13.36 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.14 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' THR . . . . . 1.06 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.151 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.83 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.931 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 1.032 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 24.8 mp0 -106.72 -115.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.271 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.7 t 145.65 173.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.766 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.407 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.63 2.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.75 115.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.533 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.2 mp -85.49 157.83 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -150.39 147.82 28.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.747 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' ILE . . . . . 0.555 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 68.1 mt -149.49 134.08 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.221 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -142.31 130.26 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.949 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.69 136.61 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.158 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' HIS . . . . . 0.777 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.955 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.7 t80 -145.6 87.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.307 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.769 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.5 p90 -100.04 87.74 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 200' ' ' GLU . . . . . 0.802 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 23.9 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ASP . . . . . 0.802 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.2 m-20 114.86 2.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.399 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.69 -129.11 1.08 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.5 t30 -172.85 99.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.583 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.05 129.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' GLN . . . . . 0.705 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 31.5 mt-30 -136.78 154.08 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.479 HD22 ' OH ' ' A' ' 247' ' ' TYR . 13.0 tp -122.25 87.19 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.696 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 86.5 t -90.06 122.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 47.4 t -149.61 147.21 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' HIS . . . . . 0.424 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 34.6 p80 -157.87 145.09 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.212 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -135.45 129.07 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.903 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 211' ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' ' 191' ' ' VAL . 66.0 m-20 -103.55 129.82 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.259 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 212' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 213' ' ' GLN . 96.4 mt -127.16 154.85 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.916 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 213' ' ' GLN . . . . . 0.441 ' N ' HG22 ' A' ' 212' ' ' ILE . 58.3 tt0 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.339 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 214' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 33.9 t70 -118.84 166.09 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.705 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 215' ' ' SER . . . . . 1.032 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 19.8 p -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 216' ' ' VAL . . . . . 1.151 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.7 p -91.93 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 217' ' ' GLN . . . . . 1.06 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.9 pt20 -102.6 128.02 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 1.062 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 64.6 t -86.03 137.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' SER . . . . . 0.963 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.3 t -130.98 -98.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 220' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.27 -163.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 221' ' ' ASP . . . . . 0.463 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.4 p-10 -86.85 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 222' ' ' VAL . . . . . 0.463 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 87.6 t -70.09 -24.73 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -73.92 -56.78 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.963 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.9 p -54.64 -36.87 65.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.54 -57.1 14.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.483 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -57.09 -30.52 64.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.374 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -67.61 -38.76 84.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.438 ' CE1' HG11 ' A' ' 216' ' ' VAL . 38.4 m-85 -67.74 -53.94 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.389 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 229' ' ' ILE . . . . . 0.434 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.2 -27.32 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.359 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 230' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 234' ' ' ASN . 65.7 tttm -74.84 -36.71 62.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 231' ' ' ILE . . . . . 0.426 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.5 mt -67.5 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 232' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' A' ' 177' ' ' TRP . 54.5 mt -70.05 -44.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -57.1 -47.03 82.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 234' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 230' ' ' LYS . 3.2 m-80 -69.6 -43.89 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.96 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.21 -44.12 95.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 237' ' ' ASN . . . . . 0.446 ' OD1' ' NH2' ' B' ' 544' ' ' ARG . 93.8 m-20 -60.01 -40.21 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.75 -34.35 73.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -68.46 -44.44 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -68.16 -38.98 82.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 241' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 19.6 m -61.5 -45.7 93.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.57 71.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.24 -47.49 73.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.67 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -66.84 -42.97 84.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 246' ' ' ASN . . . . . 0.538 ' O ' ' SD ' ' A' ' 250' ' ' MET . 7.7 m120 -62.13 -34.6 76.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 247' ' ' TYR . . . . . 0.479 ' OH ' HD22 ' A' ' 206' ' ' LEU . 2.7 m-85 -64.89 -31.96 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -73.21 -50.87 20.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 249' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 253' ' ' THR . 12.4 m -64.8 -34.78 79.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 250' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 26.8 mtp -72.93 -14.44 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.8 p -112.99 -10.13 13.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 252' ' ' ASP . . . . . 0.629 ' O ' ' OG1' ' A' ' 253' ' ' THR . 98.1 m-20 -132.14 47.75 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.566 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 253' ' ' THR . . . . . 0.629 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.9 m 175.75 -79.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 254' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 10.4 m -53.5 -61.28 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -47.65 -57.56 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.16 -11.84 34.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.22 -18.24 30.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.03 -91.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 259' ' ' ARG . . . . . 0.672 HH22 ' CA ' ' B' ' 521' ' ' GLU . 0.0 OUTLIER -98.67 174.43 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.435 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 260' ' ' ARG . . . . . 0.54 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 20.0 mmm180 -109.17 153.2 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -83.7 -11.32 57.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.59 133.29 3.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 263' ' ' PRO . . . . . 0.707 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 74.5 Cg_exo -43.99 135.39 7.94 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.895 2.396 . . . . 0.0 112.057 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 264' ' ' VAL . . . . . 0.499 HG22 ' CD ' ' C' ' 604' ' ' LYS . 61.5 t -37.71 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 67.5 p -64.2 -5.4 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 266' ' ' ARG . . . . . 0.698 ' N ' ' O ' ' A' ' 263' ' ' PRO . 33.8 ttt180 54.15 55.53 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.9 m 173.3 114.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 53.3 mtpt -16.85 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 269' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 269' ' ' ILE . 3.8 mp -50.29 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.514 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.799 ' O ' ' N ' ' A' ' 273' ' ' LYS . 67.0 t0 -117.12 58.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 271' ' ' TRP . . . . . 0.602 ' C ' ' O ' ' A' ' 270' ' ' ASP . 72.3 m95 -21.5 -55.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 272' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 270' ' ' ASP . 73.8 m-20 -44.57 -25.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.65 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 273' ' ' LYS . . . . . 1.229 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.7 pttt -99.97 -7.73 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 274' ' ' ILE . . . . . 0.593 ' N ' ' O ' ' A' ' 271' ' ' TRP . 15.3 mm -103.13 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 275' ' ' LEU . . . . . 0.705 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.8 mt -111.07 44.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 276' ' ' SER . . . . . 1.29 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.9 p 141.97 -38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 1.229 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.9 t80 -30.99 43.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 278' ' ' LYS . . . . . 1.29 ' N ' ' O ' ' A' ' 276' ' ' SER . 17.8 tptm -107.66 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 1.046 ' O ' ' O ' ' A' ' 280' ' ' GLY . 3.0 pt 54.25 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.11 0.0 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.547 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 302' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 19.5 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -42.77 -51.26 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.479 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -55.27 -34.22 63.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.64 -49.13 78.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.23 -40.6 77.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.437 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.85 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.37 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 96.5 m -68.1 -37.16 80.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.395 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.727 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.27 -42.06 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.341 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 310' ' ' LEU . . . . . 0.667 ' O ' HD23 ' B' ' 310' ' ' LEU . 1.1 tt -67.36 -38.41 84.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.339 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -68.36 -33.59 74.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.81 -43.76 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.0 mmm -64.4 -25.57 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 314' ' ' ARG . . . . . 0.415 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 63.9 mtp180 -82.31 -12.38 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 315' ' ' ARG . . . . . 0.593 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.5 mtt-85 -100.04 -46.87 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.518 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.66 147.73 95.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.59 128.38 20.8 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.859 2.372 . . . . 0.0 112.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 318' ' ' PRO . . . . . 0.437 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.3 Cg_endo -71.4 -4.1 14.3 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.913 2.409 . . . . 0.0 112.048 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -80.52 -17.87 50.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -123.9 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 321' ' ' ILE . . . . . 0.437 HG13 ' HA ' ' B' ' 318' ' ' PRO . 86.0 mt -63.4 -40.93 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -54.63 -54.41 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -54.67 -55.79 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.8 tp -47.13 -48.93 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.458 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.9 t -57.14 -49.68 75.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.382 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 328' ' ' LEU . . . . . 0.727 HD21 ' HB1' ' B' ' 309' ' ' ALA . 61.1 tp -55.5 -41.06 72.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.507 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.44 -41.2 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.423 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -37.96 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.27 -29.06 64.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.54 84.64 9.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.473 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -68.16 -5.52 15.0 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.723 2.282 . . . . 0.0 112.082 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 96.5 p -89.35 -6.44 56.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.613 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.476 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 89.8 mt -119.07 20.9 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 336' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' B' ' 340' ' ' LEU . 11.6 t -64.1 -55.9 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.34 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.7 -36.16 73.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 339' ' ' LEU . . . . . 0.476 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 74.6 mt -79.04 -28.63 43.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 340' ' ' LEU . . . . . 0.643 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.4 mt -81.54 12.47 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.3 p -144.08 -3.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 59.7 p -119.38 -15.49 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 84.1 t -105.88 120.03 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.82 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.447 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.94 28.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.41 125.28 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.835 2.357 . . . . 0.0 112.095 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.67 122.48 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -88.65 148.79 23.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.93 136.36 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' ALA . . . . . 0.722 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.65 157.65 33.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.437 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -114.31 143.35 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.602 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.975 ' O ' ' N ' ' B' ' 356' ' ' GLY . 67.7 m-20 -111.9 81.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 88.7 tttt -37.23 -63.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.583 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 354' ' ' VAL . . . . . 0.467 HG23 ' H ' ' B' ' 355' ' ' VAL . 0.7 OUTLIER -39.5 -52.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 355' ' ' VAL . . . . . 0.467 ' H ' HG23 ' B' ' 354' ' ' VAL . 43.7 t -92.94 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.975 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.62 70.66 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 352' ' ' ASP . 13.4 tptm -115.06 154.93 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.613 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 358' ' ' ASP . . . . . 0.722 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 97.3 m-20 -94.84 143.1 26.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.696 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.6 p90 -139.68 135.74 33.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 64.9 mt -69.19 156.65 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.3 mt -108.58 158.57 17.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 362' ' ' CYS . . . . . 0.564 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 25.1 p -168.23 168.64 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 363' ' ' ASP . . . . . 0.643 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.9 t70 -75.56 -10.27 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 364' ' ' TYR . . . . . 0.623 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 42.1 m-85 -88.37 -18.17 28.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 365' ' ' ASN . . . . . 0.564 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 33.7 p-10 -123.25 24.79 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 366' ' ' ARG . . . . . 0.513 HH22 HD13 ' B' ' 340' ' ' LEU . 31.1 ttp180 -119.94 129.89 54.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -122.27 99.51 6.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.74 1.75 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.29 8.68 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 370' ' ' SER . . . . . 1.01 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.5 p -122.41 161.33 23.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.363 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 371' ' ' TYR . . . . . 1.116 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.1 m-85 -118.26 150.77 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.564 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 372' ' ' ARG . . . . . 0.598 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.3 ttp180 -98.81 124.75 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 373' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.4 t -79.54 133.71 59.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.808 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.84 -14.78 19.26 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.855 2.37 . . . . 0.0 112.241 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -85.9 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.6 p -83.15 -18.67 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.566 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 377' ' ' ASN . . . . . 0.593 ' HA ' ' O ' ' B' ' 373' ' ' SER . 42.6 t30 70.31 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -141.58 137.88 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 379' ' ' TYR . . . . . 1.116 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 34.9 m-85 -65.79 140.44 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 380' ' ' ASP . . . . . 0.76 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.41 6.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.347 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 1.01 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.7 Cg_exo -65.41 120.02 7.15 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.952 2.435 . . . . 0.0 112.347 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -41.54 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.995 2.463 . . . . 0.0 112.306 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.662 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.5 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.51 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.633 ' H ' HD23 ' B' ' 383' ' ' LEU . 76.3 mt-10 -111.71 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -116.97 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.556 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.71 47.39 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 387' ' ' ALA . . . . . 0.565 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.99 127.25 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.7 mtt -132.25 148.57 70.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.95 150.71 49.44 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.789 2.326 . . . . 0.0 112.149 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 142.91 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.59 -43.79 5.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -67.9 -37.79 82.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.491 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.4 tp -70.9 -42.42 69.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.564 ' NH1' ' OE1' ' B' ' 397' ' ' GLU . 25.1 tpt180 -55.34 -36.84 66.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -63.44 -46.65 85.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.42 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.302 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 397' ' ' GLU . . . . . 0.564 ' OE1' ' NH1' ' B' ' 394' ' ' ARG . 42.0 tt0 -67.76 -38.13 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.0 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.66 -37.03 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.357 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.96 94.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.399 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 401' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 58.3 m-80 -63.89 -39.01 93.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.362 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -72.17 -40.39 67.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.0 79.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -69.31 -29.22 67.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.59 -38.85 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -77.09 -32.85 56.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.354 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.8 -18.61 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 408' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -83.86 -35.48 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.16 -8.94 58.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.566 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 410' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 55.1 mt -95.86 -17.84 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 411' ' ' TYR . . . . . 0.707 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.06 3.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 90.9 m-85 -100.55 -25.97 14.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 413' ' ' GLU . . . . . 0.416 ' OE1' HG21 ' A' ' 264' ' ' VAL . 26.1 tp10 63.58 24.3 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 414' ' ' GLY . . . . . 0.463 ' O ' ' CD ' ' B' ' 408' ' ' ARG . . . 162.74 -154.48 25.45 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.4 -163.49 52.94 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.8 t -128.7 153.73 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 39.9 t -143.59 148.46 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.67 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.4 m -148.17 143.99 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 55.9 t -132.86 130.23 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.545 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 59.6 m-85 -128.47 132.46 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.366 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.411 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.2 mt -119.66 158.39 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 422' ' ' TRP . . . . . 0.978 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 33.0 p90 -154.47 110.52 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.513 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -43.01 159.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 424' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' B' ' 429' ' ' ALA . 57.1 mt -127.92 -147.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -87.29 -49.87 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.77 30.75 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.66 2.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.77 154.05 4.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 429' ' ' ALA . . . . . 0.978 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.72 35.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 431' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.6 p -130.07 126.38 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 432' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.35 113.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' B' ' 450' ' ' SER . 55.2 mt -102.85 143.2 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 434' ' ' ILE . . . . . 0.568 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 30.9 mt -148.72 119.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -122.55 127.53 49.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 436' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' B' ' 437' ' ' ALA . 0.0 OUTLIER -137.19 119.59 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.548 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 437' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' B' ' 436' ' ' LYS . . . -103.9 138.18 40.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.1 179.48 45.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 439' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' B' ' 441' ' ' SER . 5.5 t70 -50.72 128.08 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 441' ' ' SER . . . . . 0.571 ' N ' ' OD1' ' B' ' 439' ' ' ASP . 45.1 p -110.35 -4.31 15.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.575 ' NZ ' ' NE2' ' C' ' 640' ' ' HIS . 42.5 mmtt -89.19 153.92 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.485 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 443' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' C' ' 677' ' ' TYR . 38.5 mttp -56.93 -43.8 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 18.1 mt -95.15 135.94 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -105.74 154.72 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.36 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.44 24.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.49 130.62 14.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.206 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 448' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.1 t-105 -114.81 116.25 28.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 449' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 474' ' ' MET . 0.9 OUTLIER -109.47 127.22 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 450' ' ' SER . . . . . 0.568 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 0.9 OUTLIER -115.98 122.69 46.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 0.0 110.908 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.85 100.79 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 452' ' ' HIS . . . . . 0.754 ' CG ' ' HG ' ' B' ' 471' ' ' SER . 13.3 m-70 -108.69 132.47 53.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.83 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 67.2 t -128.77 95.65 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 454' ' ' VAL . . . . . 0.425 HG22 ' N ' ' B' ' 455' ' ' GLU . 11.7 p -96.71 153.63 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 455' ' ' GLU . . . . . 0.425 ' N ' HG22 ' B' ' 454' ' ' VAL . 75.4 mt-10 -131.84 102.21 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.31 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.06 139.63 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 458' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 76.1 mt-10 -40.31 146.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 459' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.9 mmtp -109.33 141.98 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.96 -54.18 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.6 p -126.7 146.5 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 462' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.7 48.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 59.13 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.8 t -82.25 123.62 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.443 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 465' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.77 151.89 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 466' ' ' HIS . . . . . 0.527 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.4 t-160 -92.93 126.54 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.352 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -103.15 139.47 38.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -135.81 86.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.149 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 469' ' ' LEU . . . . . 0.634 HD12 ' H ' ' B' ' 470' ' ' THR . 58.8 tp -82.15 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 470' ' ' THR . . . . . 0.634 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.2 m -157.87 62.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 471' ' ' SER . . . . . 0.754 ' HG ' ' CG ' ' B' ' 452' ' ' HIS . 6.4 m -64.68 174.63 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.073 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 472' ' ' THR . . . . . 0.501 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.6 m -168.78 87.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.136 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 473' ' ' VAL . . . . . 0.466 HG11 ' CH2' ' B' ' 448' ' ' TRP . 76.8 t -69.66 143.79 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 474' ' ' MET . . . . . 0.467 ' O ' ' OD1' ' B' ' 449' ' ' ASP . 10.3 mtp -124.75 95.96 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.186 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 475' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 8.8 tp -86.65 131.15 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -125.27 130.28 51.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 10.0 mt -137.37 124.64 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 478' ' ' GLN . . . . . 0.465 ' C ' HG22 ' B' ' 479' ' ' THR . 54.0 tt0 -138.13 158.13 44.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 479' ' ' THR . . . . . 0.465 HG22 ' C ' ' B' ' 478' ' ' GLN . 0.5 OUTLIER -163.41 127.5 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.628 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 480' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 87.7 m-20 -108.21 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 16.2 tptm -107.64 146.56 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.24 -45.94 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.66 -25.27 68.77 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 484' ' ' SER . . . . . 0.45 ' O ' ' C ' ' B' ' 485' ' ' GLY . 73.2 m -125.95 14.9 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 486' ' ' THR . . . . . 0.446 ' N ' ' O ' ' B' ' 484' ' ' SER . 72.2 p -126.06 113.96 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 23.5 ttt -125.12 118.07 25.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -119.0 123.96 45.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 489' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 15.8 tp -131.64 76.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.86 21.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 491' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.63 11.06 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 492' ' ' SER . . . . . 0.646 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 80.5 p 163.23 135.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.54 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 494' ' ' THR . . . . . 0.501 ' OG1' HG23 ' B' ' 472' ' ' THR . 55.2 m -127.14 142.84 51.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -149.95 128.7 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.525 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 51.8 ttp -160.08 130.51 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.58 141.58 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -172.18 145.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.7 m-20 -91.25 125.19 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 501' ' ' GLU . . . . . 0.434 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.5 tt0 -120.66 160.21 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.8 m -94.29 131.84 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.65 122.39 50.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 19.7 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.97 -35.84 77.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 506' ' ' SER . . . . . 0.416 ' O ' ' OD1' ' A' ' 272' ' ' ASN . 78.2 p -83.66 -19.87 34.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.3 t -135.43 73.46 62.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.55 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.765 2.31 . . . . 0.0 112.168 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -58.75 -62.7 1.67 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.0 mt -42.72 -49.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.21 72.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 512' ' ' ASN . . . . . 0.434 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.8 m-20 -62.95 -48.19 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.1 -33.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.7 -46.61 74.06 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.32 -44.36 84.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.661 0.267 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.23 -52.54 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.558 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 50.2 t -55.45 -47.13 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.92 -51.69 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.758 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.59 -37.49 87.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 27.5 tpp -64.36 -49.45 71.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.695 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 521' ' ' GLU . . . . . 0.672 ' CA ' HH22 ' A' ' 259' ' ' ARG . 4.4 mt-10 -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.88 -41.5 78.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.57 -38.51 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 92.7 mt -74.38 -24.34 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 525' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.69 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.693 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 526' ' ' SER . . . . . 0.526 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 4.9 t -84.99 -38.77 18.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.9 m -66.04 -35.71 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.681 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.692 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 40.2 mt -64.99 -42.36 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.55 -31.32 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 530' ' ' GLU . . . . . 0.948 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.39 -54.41 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.42 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 532' ' ' TYR . . . . . 0.692 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 14.0 m-85 -50.26 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.574 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.84 40.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 534' ' ' GLY . . . . . 0.948 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.06 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.9 tptt -56.9 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.501 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.622 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -57.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.35 -53.31 29.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.644 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.14 -44.97 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 539' ' ' ILE . . . . . 0.471 HG21 HG13 ' A' ' 196' ' ' VAL . 90.9 mt -61.72 -36.04 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.666 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.46 -42.0 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -69.73 -17.18 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.37 48.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.463 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 15.1 mt -68.08 -51.44 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.715 0.293 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 544' ' ' ARG . . . . . 0.739 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.663 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 545' ' ' SER . . . . . 0.739 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 35.2 t -142.21 137.88 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.15 -43.48 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.86 138.63 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.627 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 548' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.11 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.44 112.64 30.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' B' ' 551' ' ' ASP . 72.1 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.869 2.379 . . . . 0.0 112.126 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' B' ' 550' ' ' PRO . 52.5 p-10 -25.27 145.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.95 116.18 18.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.3 -24.72 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 558' ' ' LEU . 1.8 mptm? -52.63 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -45.23 -56.59 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.65 -46.85 83.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 557' ' ' GLN . . . . . 0.408 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.7 tm0? -65.84 -29.65 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 558' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.5 tp -77.81 -30.29 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.702 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -73.65 -36.29 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.688 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.2 -40.58 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 561' ' ' GLU . . . . . 0.574 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.4 mt-10 -67.84 -61.68 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.884 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.4 mt -49.12 -40.72 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.5 m -61.15 -76.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.3 pt20 -36.69 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.884 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.07 -42.69 67.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.637 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' B' ' 563' ' ' SER . 49.1 mt -81.49 -35.59 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.4 p -70.31 -19.57 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -117.54 6.64 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 24.3 ttp180 -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.824 ' O ' HG22 ' B' ' 571' ' ' ILE . 40.0 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 571' ' ' ILE . . . . . 0.824 HG22 ' O ' ' B' ' 570' ' ' GLN . 13.8 tt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.46 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 601' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.6 m 62.11 5.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.53 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -49.76 -37.86 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 604' ' ' LYS . . . . . 0.499 ' CD ' HG22 ' A' ' 264' ' ' VAL . 64.9 tttp -69.66 -52.26 27.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -55.09 -28.92 56.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -75.64 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 607' ' ' MET . . . . . 0.411 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 12.0 ptt? -72.77 -36.82 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 608' ' ' TRP . . . . . 0.411 ' N ' ' CG ' ' C' ' 607' ' ' MET . 73.6 t-105 -56.74 -16.08 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 609' ' ' ALA . . . . . 0.575 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.44 -50.58 13.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 610' ' ' LEU . . . . . 0.73 ' CD2' HG11 ' C' ' 618' ' ' VAL . 10.8 mt -66.31 1.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 611' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' C' ' 609' ' ' ALA . 18.8 mmtt -102.05 -66.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 612' ' ' ASN . . . . . 0.405 ' OD1' ' NE1' ' C' ' 608' ' ' TRP . 4.2 m120 -70.41 -4.18 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 613' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.97 58.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 614' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' C' ' 616' ' ' ASP . 3.6 m-20 -63.96 49.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 615' ' ' LEU . . . . . 0.986 ' O ' HD13 ' C' ' 615' ' ' LEU . 3.1 tm? -45.0 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 616' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' C' ' 614' ' ' ASP . 57.4 m-20 -77.78 -27.46 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 617' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' C' ' 614' ' ' ASP . 75.7 mm-40 -81.53 -49.87 10.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 618' ' ' VAL . . . . . 0.73 HG11 ' CD2' ' C' ' 610' ' ' LEU . 1.4 m -62.86 -28.34 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 619' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.8 tttm -66.23 -21.87 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 620' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 34.3 t70 -75.38 -45.46 39.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 621' ' ' TYR . . . . . 0.961 ' OH ' HG22 ' C' ' 628' ' ' VAL . 0.1 OUTLIER -60.91 -59.15 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 622' ' ' VAL . . . . . 0.882 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.4 p -57.75 -27.92 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 623' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.66 -16.76 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -64.76 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.38 0.1 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.4 mt-10 34.2 95.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.584 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.96 62.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 628' ' ' VAL . . . . . 0.961 HG22 ' OH ' ' C' ' 621' ' ' TYR . 1.9 t -121.98 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -173.06 5.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -78.99 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.538 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 25.7 p -82.08 87.61 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.0 tp -31.24 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -71.7 -76.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.75 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 635' ' ' GLY . . . . . 0.5 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.79 0.18 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 636' ' ' ARG . . . . . 0.576 ' NH2' ' OG1' ' A' ' 253' ' ' THR . 91.5 mtt180 -127.97 164.89 21.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.494 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 637' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.1 OUTLIER -108.4 156.98 37.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.614 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 638' ' ' PRO . . . . . 0.423 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 58.2 Cg_endo -73.59 24.98 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.849 2.366 . . . . 0.0 112.158 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 639' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.72 -16.31 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 640' ' ' HIS . . . . . 0.575 ' NE2' ' NZ ' ' B' ' 442' ' ' LYS . 77.5 t60 -75.2 -43.85 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.7 -36.01 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.87 -44.99 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.44 62.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 5.0 t70 -60.7 -35.65 76.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 645' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 28.0 t -160.82 65.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.621 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.13 4.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 647' ' ' GLN . . . . . 0.425 ' O ' ' CG ' ' C' ' 648' ' ' LEU . 90.2 mt-30 51.62 4.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.57 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 648' ' ' LEU . . . . . 0.922 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.2 OUTLIER 71.55 6.95 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -115.68 -12.68 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 650' ' ' ILE . . . . . 0.561 HG21 HD23 ' C' ' 610' ' ' LEU . 1.0 OUTLIER -87.44 -36.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 1.09 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 652' ' ' GLU . . . . . 0.814 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 18.4 pt-20 -56.15 -22.62 29.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 653' ' ' PHE . . . . . 0.986 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.0 t80 -75.84 -97.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 654' ' ' LEU . . . . . 0.715 HD23 ' H ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.44 6.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 655' ' ' LEU . . . . . 0.986 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.5 tt -102.95 -47.93 4.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.579 ' N ' HD23 ' C' ' 655' ' ' LEU . 56.8 tp -59.21 -25.38 63.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -72.8 -90.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 658' ' ' GLY . . . . . 0.589 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.32 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 659' ' ' ALA . . . . . 0.708 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.11 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 660' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.4 10.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 661' ' ' ILE . . . . . 0.708 ' H ' ' C ' ' C' ' 659' ' ' ALA . 11.7 pt -66.08 1.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.496 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 662' ' ' ASN . . . . . 1.102 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.72 -18.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.66 0.28 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 664' ' ' PRO . . . . . 1.102 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.4 Cg_exo -46.97 120.85 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.828 2.352 . . . . 0.0 112.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -125.91 -50.48 1.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -78.86 -16.08 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 667' ' ' HIS . . . . . 0.5 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.56 -6.23 57.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 668' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' C' ' 668' ' ' HIS . 46.3 t-80 40.49 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 669' ' ' ILE . . . . . 0.414 HG22 ' O ' ' C' ' 667' ' ' HIS . 6.0 tt -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 670' ' ' THR . . . . . 0.407 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.0 OUTLIER -96.19 168.67 10.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 671' ' ' PRO . . . . . 0.498 ' HA ' ' OG ' ' C' ' 674' ' ' SER . 49.5 Cg_endo -72.46 -30.48 12.36 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.828 2.352 . . . . 0.0 112.132 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 7.5 tt -45.34 -49.1 13.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 673' ' ' LEU . . . . . 0.618 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 44.6 mt -67.82 -27.85 67.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 674' ' ' SER . . . . . 0.498 ' OG ' ' HA ' ' C' ' 671' ' ' PRO . 23.8 m -51.75 -40.9 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 675' ' ' ALA . . . . . 0.424 ' HB3' ' CG2' ' C' ' 684' ' ' VAL . . . -74.55 -30.0 61.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 676' ' ' VAL . . . . . 0.618 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.1 t -47.14 -66.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.512 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 677' ' ' TYR . . . . . 0.458 ' HB3' ' HZ2' ' B' ' 443' ' ' LYS . 0.3 OUTLIER -77.8 39.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 678' ' ' GLU . . . . . 0.446 ' OE1' ' OD2' ' C' ' 644' ' ' ASP . 31.3 tp10 -124.51 -28.64 3.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.28 -11.31 72.43 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 680' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' C' ' 682' ' ' SER . 17.8 m80 -72.01 -53.46 12.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.23 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 682' ' ' SER . . . . . 0.904 ' N ' ' O ' ' C' ' 680' ' ' HIS . 78.1 p -67.5 -24.25 65.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 683' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 1.0 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 684' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' C' ' 675' ' ' ALA . 64.2 t -41.91 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.545 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 685' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' C' ' 687' ' ' LEU . 19.8 tptp -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.93 1.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 687' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.5 tt -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 688' ' ' LEU . . . . . 0.486 HD12 ' O ' ' C' ' 693' ' ' ASP . 7.1 tt -45.68 -21.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 689' ' ' SER . . . . . 0.426 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.6 t -55.75 -21.56 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -99.68 -6.26 27.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 691' ' ' GLY . . . . . 1.092 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 692' ' ' ALA . . . . . 0.577 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.16 18.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 693' ' ' ASP . . . . . 1.092 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.7 OUTLIER 33.13 -128.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -152.47 -23.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 38.0 m -156.53 73.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.552 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.5 -29.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -140.18 23.57 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.77 20.32 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 699' ' ' PRO . . . . . 0.785 ' HG2' HD22 ' C' ' 702' ' ' LEU . 89.3 Cg_exo -44.8 -27.76 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 0.0 112.11 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 700' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 21.7 t70 157.72 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.37 89.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 702' ' ' LEU . . . . . 0.785 HD22 ' HG2' ' C' ' 699' ' ' PRO . 8.3 mp -53.9 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 91.0 m 16.15 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 704' ' ' ALA . . . . . 0.424 ' N ' HG22 ' C' ' 703' ' ' THR . . . -106.67 -18.65 13.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 705' ' ' LEU . . . . . 0.627 HD23 HD23 ' C' ' 717' ' ' LEU . 0.3 OUTLIER -62.83 -75.51 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 706' ' ' GLU . . . . . 0.581 ' HB3' ' HG ' ' C' ' 702' ' ' LEU . 3.5 tt0 -80.67 15.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.43 -70.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 708' ' ' THR . . . . . 0.641 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.7 m -139.79 -142.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 709' ' ' ASP . . . . . 0.641 ' H ' HG22 ' C' ' 708' ' ' THR . 78.4 m-20 -148.82 -4.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -72.57 151.84 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.55 -20.52 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.17 -60.41 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.666 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.02 -37.67 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -52.04 -29.93 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 716' ' ' LEU . . . . . 1.078 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.03 98.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 717' ' ' LEU . . . . . 1.078 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.2 mp 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 718' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.615 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.1 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -45.98 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.9 m-20 -64.89 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.45 -39.35 87.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.58 -40.93 84.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 13' ' ' LYS . 9.1 mtmp? -63.69 -35.92 82.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' ASP . 64.5 t -65.23 -43.79 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -61.53 -39.73 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -47.38 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.567 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.7 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.89 -41.34 91.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.16 -44.85 87.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.48 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.0 p -76.01 8.44 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.69 15.28 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.93 81.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.9 Cg_endo -68.16 167.54 21.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.808 2.338 . . . . 0.0 112.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -70.94 116.25 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.692 2.261 . . . . 0.0 112.108 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.15 21.44 35.54 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.547 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 52.1 mt-10 -149.3 37.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -73.85 -48.89 27.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -57.06 -57.39 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -44.5 -54.46 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 36' ' ' VAL . 54.8 t -60.78 -42.53 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 77.4 t80 -59.15 -50.88 72.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.04 -37.93 81.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.684 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.08 -42.07 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 32' ' ' VAL . 94.8 t -67.06 -41.83 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.595 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HE ' ' CD2' ' A' ' 46' ' ' LEU . 42.3 ttm180 -56.4 -54.85 40.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.28 -34.77 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -73.17 -49.8 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 HD22 ' B' ' 331' ' ' LEU . 13.6 tp -61.71 -32.6 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.464 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.58 49.71 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.9 m-20 -168.63 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.656 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -51.86 -37.87 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -54.2 -44.15 71.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.32 -30.81 54.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 36.9 tp -62.81 -38.64 91.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -40.92 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.581 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.91 48.65 0.92 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.13 -56.72 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.612 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.57 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -54.23 -37.08 64.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.36 12.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.474 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.55 -56.65 5.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 55' ' ' ALA . 59.4 tt0 -33.58 -45.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.02 -72.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -46.98 -30.96 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.611 ' SD ' ' N ' ' A' ' 60' ' ' ASP . 12.7 tmm? -68.84 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 57.8 m-20 -67.94 10.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 98.4 mm-40 -124.53 24.78 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.91 44.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 20.7 m -58.85 111.32 3.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.599 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.69 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.873 2.382 . . . . 0.0 112.208 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.435 HG11 ' CE1' ' A' ' 98' ' ' PHE . 34.0 m -109.44 165.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -125.21 103.93 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.66 ' O ' ' C ' ' A' ' 68' ' ' GLU . 1.6 mp -51.5 148.3 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.66 ' C ' ' O ' ' A' ' 67' ' ' ILE . 81.8 tt0 -13.28 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.44 75.1 0.32 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.798 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -137.48 14.84 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.619 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 62.1 t0 20.15 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 1.061 ' O ' ' N ' ' A' ' 74' ' ' VAL . 46.7 p-10 -98.82 19.43 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 23.6 mt-30 -0.23 50.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.487 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.061 ' N ' ' O ' ' A' ' 72' ' ' ASP . 10.3 p -63.93 173.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.886 HD22 ' C ' ' A' ' 74' ' ' VAL . 2.4 mm? -113.4 152.29 30.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.505 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -104.05 105.5 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 62' ' ' PHE . 16.5 p -130.15 -176.88 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.61 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -78.87 -31.24 45.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.562 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.0 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.23 15.7 50.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.51 100.08 11.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.77 0.319 . . . . 0.0 110.596 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.8 tp -49.67 -51.53 37.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -116.06 1.21 13.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.77 9.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -108.34 168.72 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.528 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 55.0 m-85 -114.51 -170.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.3 tp -118.33 157.39 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.697 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 5.7 t0 -139.35 89.05 12.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.569 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 24.2 Cg_exo -61.04 -36.63 81.35 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.847 2.364 . . . . 0.0 111.992 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -59.48 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.461 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.56 ' N ' ' OD1' ' A' ' 89' ' ' ASP . 1.9 m120 -76.44 -20.33 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.581 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.697 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 28.3 ttmt 62.75 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.515 ' CD1' ' CD2' ' A' ' 70' ' ' TYR . 21.7 pt -146.52 154.42 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.822 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.7 m -92.65 133.02 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.588 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.707 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 24.0 p90 -140.14 136.62 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.4 tttt -88.69 113.42 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.61 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.867 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 46.9 t80 -82.65 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.562 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 32.4 t0 -104.56 90.05 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.36 -67.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.0 tp -47.46 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.3 tpt180 -52.76 156.29 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -88.87 2.31 53.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -117.21 150.26 39.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.867 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.26 79.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 60.5 m -95.57 -164.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.72 54.55 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.556 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.822 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.55 -177.8 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.812 2.341 . . . . 0.0 112.083 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.13 124.6 2.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -47.17 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.885 2.39 . . . . 0.0 112.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 11.1 tm-20 -122.91 102.5 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 49.4 p-10 -75.48 88.43 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.417 ' H ' ' HD3' ' A' ' 93' ' ' LYS . 9.4 t -46.92 164.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.11 -30.02 58.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.649 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.92 35.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.75 -59.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.501 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.814 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 21.3 tp -104.09 3.32 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.521 ' HB2' ' HZ2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.466 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -39.18 -55.96 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.706 ' CD1' HD12 ' A' ' 117' ' ' LEU . 60.5 m95 -62.54 -47.6 83.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.563 ' O ' ' C ' ' A' ' 122' ' ' ASP . 3.0 tmm_? -53.9 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.563 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.4 t0 -25.51 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.489 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.3 m -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.442 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.42 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.56 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 81.2 p -47.99 -46.16 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.33 -51.43 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.83 -12.29 60.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.469 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.56 ' HB3' ' O ' ' A' ' 126' ' ' SER . 44.9 ttm180 -66.37 -32.81 74.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.56 -39.26 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -54.73 -38.81 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.465 ' C ' ' H ' ' A' ' 134' ' ' ASP . 99.2 t -74.79 -40.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.475 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.4 mttt -76.16 25.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.3 m-20 -147.58 7.63 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.532 ' OH ' ' CE2' ' A' ' 173' ' ' TRP . 85.0 m-85 -114.63 106.45 52.22 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.58 -57.24 2.3 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.829 2.352 . . . . 0.0 112.031 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.62 12.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.536 ' CZ ' ' OE1' ' A' ' 73' ' ' GLN . 61.7 m-85 -135.1 158.13 45.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.338 . . . . 0.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.36 28.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . 0.473 ' OG1' HD23 ' A' ' 75' ' ' LEU . 27.2 m -161.46 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 90' ' ' PRO . 41.5 t -75.73 143.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.594 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 43.3 m-85 -120.2 124.34 45.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.59 0.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -123.79 167.41 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.537 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 47.2 t -107.64 115.41 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 148' ' ' ILE . 1.2 tp -91.13 104.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 46.68 54.19 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.18 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.77 129.79 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.639 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 0.648 ' H ' HG21 ' A' ' 181' ' ' ILE . 8.7 mt-30 -85.76 150.51 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.472 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.962 HG23 ' C ' ' A' ' 179' ' ' PHE . 99.4 m -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.655 HD11 ' HB2' ' A' ' 120' ' ' TRP . 15.6 mm -108.49 109.98 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.436 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 155' ' ' ILE . 3.2 mp -98.08 117.05 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.88 116.08 27.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.209 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.0 m -106.14 135.43 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 4.9 mp -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.542 ' OE2' ' ND1' ' A' ' 161' ' ' HIS . 14.7 tm-20 -131.3 151.91 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.727 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.0 OUTLIER -170.94 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.186 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 161' ' ' HIS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 8.0 p-80 -140.65 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.972 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -148.62 77.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.223 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -65.35 147.43 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.599 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 30.4 tp60 -167.93 66.08 0.74 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.349 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.2 Cg_exo -60.69 -52.09 4.18 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.803 2.335 . . . . 0.0 112.139 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.687 ' N ' ' O ' ' A' ' 165' ' ' PRO . 58.0 t-20 -121.96 -10.48 8.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.832 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 44.1 m-85 70.11 80.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.832 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 9.3 p-90 158.81 127.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -136.02 162.39 33.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.566 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 0.1 OUTLIER -165.7 136.65 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.353 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 173' ' ' TRP . . . . . 0.727 ' N ' ' O ' ' A' ' 160' ' ' SER . 3.4 t-105 -107.6 138.92 42.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.429 ' HB3' ' CB ' ' A' ' 193' ' ' LYS . 39.5 ttt180 -125.41 152.26 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.165 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.425 ' HB2' ' NE1' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -166.3 111.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.015 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.9 tt0 -116.41 124.68 50.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.119 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 24.4 m95 -120.59 116.91 26.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.902 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -98.6 119.79 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.416 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.962 ' C ' HG23 ' A' ' 153' ' ' THR . 56.9 t80 -117.49 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.744 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.95 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.9 t -50.09 -131.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.577 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 182' ' ' THR . 9.9 tp -164.35 151.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.927 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.46 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.427 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 1.036 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 95.9 Cg_exo -34.32 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 123.434 2.756 . . . . 0.0 112.713 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' PRO . . . . . 0.927 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.9 Cg_endo -79.84 -4.34 13.33 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.805 2.336 . . . . 0.0 112.089 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' THR . . . . . 1.039 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.261 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.175 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.84 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.961 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 1.029 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 85.5 mt-30 -106.76 -115.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.217 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.1 t 145.67 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.79 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.447 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.813 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.7 p -165.73 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.501 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' LEU . . . . . 0.69 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 3.2 mp -85.57 157.82 20.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' LYS . . . . . 0.429 ' CB ' ' HB3' ' A' ' 174' ' ' ARG . 27.8 mttt -150.36 147.86 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 5.7 mt -149.49 134.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.483 ' OE1' ' NE2' ' A' ' 205' ' ' GLN . 6.9 tt0 -142.33 130.24 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 70.6 t -132.67 136.61 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.157 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' HIS . . . . . 0.763 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 73.3 t60 -126.49 141.56 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 198' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 53.7 t80 -145.56 87.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.06 87.77 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 60.7 tt0 -129.47 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 87.6 m-20 114.78 2.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.7 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -172.84 99.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.636 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.0 129.19 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.526 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' GLN . . . . . 0.705 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.7 tt0 -136.77 154.15 50.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.707 HD12 ' OH ' ' A' ' 247' ' ' TYR . 4.7 tt -122.34 87.26 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.676 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 207' ' ' VAL . . . . . 0.486 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 11.2 t -90.14 122.27 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 22.9 t -149.59 147.2 27.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 209' ' ' HIS . . . . . 0.555 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 6.5 p80 -157.81 145.1 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -135.44 129.06 32.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 110.926 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 211' ' ' ASP . . . . . 0.454 ' OD1' HG23 ' A' ' 191' ' ' VAL . 63.4 m-20 -103.62 129.83 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.215 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.86 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.923 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.366 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' ASP . . . . . 0.627 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 93.0 m-20 -118.8 166.05 13.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.718 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 215' ' ' SER . . . . . 1.029 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 94.8 p -117.82 103.35 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 216' ' ' VAL . . . . . 1.175 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 97.9 t -91.9 166.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.677 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 217' ' ' GLN . . . . . 1.039 ' HA ' ' O ' ' A' ' 185' ' ' THR . 0.0 OUTLIER -102.65 128.06 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.618 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 1.06 HG23 ' HB2' ' A' ' 186' ' ' ALA . 83.2 t -85.99 137.51 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.1 t -131.08 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 -163.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -86.8 -62.64 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.08 -24.75 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -73.91 -56.77 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 96.4 m -54.66 -36.84 65.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.09 14.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -57.06 -30.56 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.6 -38.77 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 228' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 10.6 t80 -67.72 -53.95 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.409 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 229' ' ' ILE . . . . . 0.647 ' O ' HG12 ' A' ' 232' ' ' ILE . 1.7 mp -52.11 -27.35 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.409 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -74.85 -36.69 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 231' ' ' ILE . . . . . 0.469 HG13 HG21 ' A' ' 216' ' ' VAL . 32.2 mm -67.55 -41.19 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.442 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 232' ' ' ILE . . . . . 0.647 HG12 ' O ' ' A' ' 229' ' ' ILE . 7.7 pt -70.14 -44.46 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.377 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 233' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' A' ' 236' ' ' GLU . 81.7 tt0 -57.05 -47.03 81.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.466 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -69.62 -43.88 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.428 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 236' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 233' ' ' GLU . 1.1 pp20? -60.25 -44.12 95.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.404 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 237' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 233' ' ' GLU . 74.6 m-20 -60.07 -40.14 88.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.427 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -69.83 -34.33 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 239' ' ' TYR . . . . . 0.446 ' CZ ' HD11 ' A' ' 243' ' ' ILE . 45.0 t80 -68.5 -44.37 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -68.22 -39.0 82.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 20.0 m -61.38 -45.79 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.65 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 243' ' ' ILE . . . . . 0.446 HD11 ' CZ ' ' A' ' 239' ' ' TYR . 40.9 mt -69.19 -47.55 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.67 -34.2 73.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -66.95 -42.9 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 246' ' ' ASN . . . . . 0.42 ' O ' ' SD ' ' A' ' 250' ' ' MET . 98.3 m-20 -62.12 -34.62 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.512 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 247' ' ' TYR . . . . . 0.707 ' OH ' HD12 ' A' ' 206' ' ' LEU . 0.5 OUTLIER -64.92 -31.87 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -73.25 -50.87 19.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 249' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' A' ' 253' ' ' THR . 24.3 m -64.79 -34.84 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 250' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 31.2 mtp -72.83 -14.56 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.0 p -112.95 -10.09 13.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 252' ' ' ASP . . . . . 0.696 ' O ' ' OG1' ' A' ' 253' ' ' THR . 67.3 t0 -132.12 47.76 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.567 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 253' ' ' THR . . . . . 0.696 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 17.5 m 175.76 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 254' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 12.1 m -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -47.68 -57.47 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -64.27 -11.71 34.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.27 30.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -77.98 -91.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 259' ' ' ARG . . . . . 0.464 ' HD2' ' CH2' ' B' ' 448' ' ' TRP . 16.5 ptm180 -98.58 174.44 6.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.464 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 260' ' ' ARG . . . . . 0.566 ' NH1' ' OE1' ' C' ' 633' ' ' GLU . 27.0 mmt180 -109.16 153.19 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 261' ' ' GLN . . . . . 0.4 ' O ' HD12 ' A' ' 262' ' ' LEU . 10.9 pt20 -83.69 -11.28 57.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.2 OUTLIER -163.58 133.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.525 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 263' ' ' PRO . . . . . 0.719 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.1 Cg_exo -43.99 135.36 7.95 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.934 2.423 . . . . 0.0 112.059 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 264' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 265' ' ' THR . 6.3 m -37.72 -38.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 265' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 267' ' ' THR . 67.1 p -64.25 -5.39 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 63.3 ttt180 54.06 55.61 8.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.547 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.26 114.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.3 mttt -16.76 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 269' ' ' ILE . . . . . 0.421 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 10.8 tt -50.25 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.4 OUTLIER -117.15 58.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.521 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 271' ' ' TRP . . . . . 0.603 ' O ' ' N ' ' A' ' 274' ' ' ILE . 83.0 m95 -21.45 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 272' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.8 t-20 -44.59 -25.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 273' ' ' LYS . . . . . 1.243 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 63.3 mttp -99.95 -7.68 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 274' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 274' ' ' ILE . 2.0 mp -103.22 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.06 44.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.569 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 276' ' ' SER . . . . . 1.296 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.6 m 141.93 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 1.243 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.4 t80 -31.01 43.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 278' ' ' LYS . . . . . 1.296 ' N ' ' O ' ' A' ' 276' ' ' SER . 88.7 tttt -107.7 80.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 1.8 pt 54.23 3.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.48 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 302' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 10.7 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -42.72 -51.22 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -55.34 -34.15 63.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.474 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 302' ' ' SER . 95.7 mt-30 -60.71 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.23 -40.62 77.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.84 95.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.35 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.2 m -68.08 -37.11 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.715 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.24 -42.2 96.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.296 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.31 -38.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.365 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.31 -33.69 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.379 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 64.0 tp -68.75 -43.76 75.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.377 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 69.4 mmm -64.39 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -82.3 -12.4 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.398 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 315' ' ' ARG . . . . . 0.617 HH11 ' HG2' ' B' ' 315' ' ' ARG . 5.7 mmt-85 -100.08 -46.84 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.522 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.63 147.75 95.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.69 128.4 21.14 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.827 2.352 . . . . 0.0 112.022 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 318' ' ' PRO . . . . . 0.426 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.2 Cg_endo -71.41 -4.1 14.31 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.88 2.387 . . . . 0.0 112.097 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -80.49 -17.89 50.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -123.88 39.49 3.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 321' ' ' ILE . . . . . 0.426 HG13 ' HA ' ' B' ' 318' ' ' PRO . 81.9 mt -63.43 -40.84 90.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.67 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.574 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.6 -54.45 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.49 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -54.61 -55.78 25.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.502 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 41.3 tp -47.18 -48.96 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.409 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.2 t -57.12 -49.63 75.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -62.38 -40.77 97.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 328' ' ' LEU . . . . . 0.715 HD21 ' HB1' ' B' ' 309' ' ' ALA . 60.8 tp -55.5 -41.03 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.511 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.47 -41.19 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.79 -37.9 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.448 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 331' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.2 mt -71.24 -29.09 64.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.53 84.59 9.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.12 -5.56 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.733 2.289 . . . . 0.0 112.059 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.36 -6.44 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.465 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 75.3 mt -119.03 20.89 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.614 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 336' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 28.2 p -64.06 -55.95 18.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.596 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 80.7 tt0 -60.34 -50.47 73.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.66 -36.21 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 339' ' ' LEU . . . . . 0.465 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 76.2 mt -79.07 -28.61 43.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 35.0 mt -81.49 12.42 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 57.0 p -144.13 -3.64 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 50.9 p -119.37 -15.55 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.85 120.08 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.84 128.66 35.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.502 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.34 165.91 29.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.4 125.25 5.8 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.869 2.379 . . . . 0.0 112.101 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 347' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' B' ' 347' ' ' LEU . 91.6 mt -66.71 122.49 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.675 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -88.65 148.84 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.6 tt -102.98 136.39 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.702 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 350' ' ' ALA . . . . . 0.809 ' HB2' HD11 ' B' ' 361' ' ' LEU . . . -123.66 157.67 33.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.466 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -114.37 143.35 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 29.2 t0 -111.9 81.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.7 mttp -37.27 -63.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.594 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 354' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 354' ' ' VAL . 0.1 OUTLIER -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 8.8 t -92.97 -25.48 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.626 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.72 70.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 69.8 mmtt -115.1 154.84 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 358' ' ' ASP . . . . . 0.717 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.6 m-20 -94.75 143.08 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.702 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 47.5 p90 -139.68 135.72 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.15 156.66 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 361' ' ' LEU . . . . . 0.809 HD11 ' HB2' ' B' ' 350' ' ' ALA . 5.4 mp -108.58 158.53 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 362' ' ' CYS . . . . . . . . . . . . . 21.4 p -168.2 168.68 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 6.0 p-10 -75.49 -10.33 59.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 364' ' ' TYR . . . . . 0.574 ' CG ' HG21 ' B' ' 431' ' ' VAL . 90.0 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.443 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 365' ' ' ASN . . . . . 0.533 ' HB3' ' CD2' ' B' ' 420' ' ' TYR . 5.4 p-10 -123.19 24.71 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 366' ' ' ARG . . . . . 0.502 HH12 HD22 ' B' ' 340' ' ' LEU . 21.1 ttm180 -119.9 129.85 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.556 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -122.16 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.83 1.76 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 369' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 369' ' ' ASP . 54.6 t0 -126.2 8.67 7.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.592 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 370' ' ' SER . . . . . 1.045 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 16.0 p -122.37 161.36 23.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 371' ' ' TYR . . . . . 1.113 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 55.5 m-85 -118.34 150.8 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 372' ' ' ARG . . . . . 0.613 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 1.8 ttt180 -98.75 124.72 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 373' ' ' SER . . . . . 0.591 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 62.8 p -79.6 133.78 58.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 374' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.2 Cg_endo -75.93 -14.73 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.799 2.332 . . . . 0.0 112.208 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -85.9 -66.29 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.1 p -83.14 -18.59 38.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 377' ' ' ASN . . . . . 0.591 ' HA ' ' O ' ' B' ' 373' ' ' SER . 5.3 m120 70.24 40.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -141.52 137.88 32.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 379' ' ' TYR . . . . . 1.113 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 31.7 m-85 -65.75 140.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 380' ' ' ASP . . . . . 0.771 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.98 -60.43 6.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.319 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 1.045 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.43 120.07 7.21 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.984 2.456 . . . . 0.0 112.277 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -41.58 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.48 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.535 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -117.02 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 386' ' ' GLY . . . . . 0.414 ' CA ' HD23 ' B' ' 383' ' ' LEU . . . -72.16 151.71 47.44 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 387' ' ' ALA . . . . . 0.514 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.94 127.26 30.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 388' ' ' MET . . . . . 0.414 ' HB2' HH21 ' B' ' 394' ' ' ARG . 6.5 ptt? -132.27 148.62 70.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 389' ' ' PRO . . . . . 0.447 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.3 Cg_endo -73.01 150.78 49.16 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.769 2.313 . . . . 0.0 112.106 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 47.3 t -52.74 142.9 17.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.55 -43.82 5.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.86 -37.82 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.91 -42.44 69.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 394' ' ' ARG . . . . . 0.414 HH21 ' HB2' ' B' ' 388' ' ' MET . 44.4 ttm180 -55.32 -36.83 66.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.54 -46.57 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.4 -31.97 73.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -67.82 -38.0 82.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.04 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.73 -36.97 79.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.343 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.9 94.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -63.96 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.15 -40.42 68.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.37 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.95 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -69.36 -29.23 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.41 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.456 ' CG ' HH21 ' B' ' 408' ' ' ARG . 64.0 t0 -54.67 -38.78 67.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.446 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -77.08 -32.87 57.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -69.76 -18.63 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.481 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 408' ' ' ARG . . . . . 0.575 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.86 -35.5 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 409' ' ' ASP . . . . . 0.45 ' OD1' ' NZ ' ' C' ' 604' ' ' LYS . 13.9 m-20 -85.18 -8.92 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.525 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 410' ' ' LEU . . . . . 0.671 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.9 mt -95.87 -17.89 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 411' ' ' TYR . . . . . 0.719 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.539 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.556 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 9.7 m-85 -100.59 -25.96 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.521 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 413' ' ' GLU . . . . . 0.418 ' HA ' ' HZ1' ' C' ' 604' ' ' LYS . 96.7 mt-10 63.54 24.34 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 414' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' B' ' 408' ' ' ARG . . . 162.72 -154.44 25.4 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.41 -163.45 52.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' B' ' 435' ' ' LYS . 13.2 m -128.74 153.7 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 417' ' ' SER . . . . . 0.575 ' N ' HH12 ' B' ' 408' ' ' ARG . 92.7 p -143.59 148.52 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 418' ' ' SER . . . . . 0.551 ' OG ' ' OH ' ' B' ' 420' ' ' TYR . 3.7 t -148.24 143.92 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.77 130.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.551 ' OH ' ' OG ' ' B' ' 418' ' ' SER . 0.8 OUTLIER -128.51 132.45 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.332 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 421' ' ' LEU . . . . . 0.406 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.1 mt -119.65 158.4 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -154.49 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.499 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -43.03 159.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 424' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' B' ' 429' ' ' ALA . 56.5 mt -127.8 -147.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.609 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -87.36 -49.76 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.81 30.65 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.66 2.57 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -170.71 154.15 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 429' ' ' ALA . . . . . 0.514 ' HB2' HD11 ' B' ' 424' ' ' LEU . . . -124.03 172.8 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.552 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.11 161.74 35.07 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 431' ' ' VAL . . . . . 0.574 HG21 ' CG ' ' B' ' 364' ' ' TYR . 83.1 t -130.09 126.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 432' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.36 113.66 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' B' ' 450' ' ' SER . 65.4 mt -102.87 143.19 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 434' ' ' ILE . . . . . 0.473 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.74 119.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.614 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 435' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' B' ' 416' ' ' VAL . 46.8 tttp -122.51 127.49 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 436' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.1 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.17 40.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.77 128.1 19.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.548 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.65 9.73 76.08 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 90.3 p -110.32 -4.33 15.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 442' ' ' LYS . . . . . 0.672 ' HZ3' ' HG2' ' C' ' 678' ' ' GLU . 31.4 mmtt -89.14 153.85 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.91 -43.79 81.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 444' ' ' ILE . . . . . 0.642 HG23 ' OG1' ' B' ' 479' ' ' THR . 57.5 mt -95.12 135.96 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -105.78 154.71 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.41 24.52 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 5.2 t -149.46 130.67 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 448' ' ' TRP . . . . . 0.54 ' CZ2' HG11 ' B' ' 473' ' ' VAL . 8.5 t-105 -114.79 116.18 28.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.44 127.18 54.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 450' ' ' SER . . . . . 0.473 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.9 122.76 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 87.0 mt -127.89 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.287 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 452' ' ' HIS . . . . . 0.513 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 8.3 m80 -108.64 132.37 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.875 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 453' ' ' VAL . . . . . 0.42 HG22 HG22 ' B' ' 431' ' ' VAL . 26.3 t -128.67 95.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.268 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 454' ' ' VAL . . . . . 0.411 HG22 ' N ' ' B' ' 455' ' ' GLU . 9.4 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 455' ' ' GLU . . . . . 0.411 ' N ' HG22 ' B' ' 454' ' ' VAL . 98.5 mt-10 -131.83 102.15 5.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.311 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 456' ' ' VAL . . . . . 0.414 HG22 ' CE2' ' B' ' 467' ' ' TYR . 58.2 t -79.05 139.65 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -123.48 68.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 458' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' B' ' 509' ' ' HIS . 80.5 mm-40 -40.29 146.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 459' ' ' LYS . . . . . 0.594 ' CG ' ' O ' ' B' ' 464' ' ' THR . 35.3 mmtm -109.33 141.91 41.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.97 -54.11 16.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 34.4 p -126.72 146.52 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 462' ' ' GLY . . . . . 0.528 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.7 48.15 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 463' ' ' ARG . . . . . 0.66 ' CG ' HH11 ' B' ' 463' ' ' ARG . 0.0 OUTLIER 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.584 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.594 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.25 123.66 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.454 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.75 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -92.91 126.54 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.333 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 467' ' ' TYR . . . . . 0.414 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.8 m-85 -103.17 139.46 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.968 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -135.85 86.14 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.191 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 469' ' ' LEU . . . . . 0.644 HD12 ' H ' ' B' ' 470' ' ' THR . 55.3 tp -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 470' ' ' THR . . . . . 0.644 ' H ' HD12 ' B' ' 469' ' ' LEU . 17.2 m -157.87 62.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.084 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 471' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 25.4 p -64.62 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.09 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 472' ' ' THR . . . . . 0.49 HG23 ' OG1' ' B' ' 494' ' ' THR . 52.7 m -168.81 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.128 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 473' ' ' VAL . . . . . 0.54 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 98.2 t -69.72 143.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 474' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 3.0 ttt -124.78 95.99 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.191 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 475' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 47.0 tp -86.68 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.258 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.34 124.67 21.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.747 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 478' ' ' GLN . . . . . 0.707 ' NE2' ' H ' ' B' ' 479' ' ' THR . 41.8 tp60 -138.17 158.08 45.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.472 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 479' ' ' THR . . . . . 0.707 ' H ' ' NE2' ' B' ' 478' ' ' GLN . 21.9 m -163.4 127.44 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.655 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 480' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.16 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttp -107.64 146.65 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.2 68.72 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 484' ' ' SER . . . . . 0.451 ' O ' ' N ' ' B' ' 486' ' ' THR . 37.6 p -125.96 14.86 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.525 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 486' ' ' THR . . . . . 0.555 ' HG1' ' CE1' ' A' ' 209' ' ' HIS . 11.7 p -126.06 114.02 17.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 487' ' ' MET . . . . . 0.444 ' O ' ' OE1' ' B' ' 478' ' ' GLN . 27.2 ttt -125.12 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.551 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 488' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' B' ' 488' ' ' ASN . 0.6 OUTLIER -119.06 123.98 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 489' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.4 tp -131.68 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.38 -163.86 21.82 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 491' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.86 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 492' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' B' ' 491' ' ' GLY . 23.4 t 163.22 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.487 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 493' ' ' LEU . . . . . 0.551 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.57 149.44 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 494' ' ' THR . . . . . 0.49 ' OG1' HG23 ' B' ' 472' ' ' THR . 55.5 m -127.11 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 495' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.6 mmt180 -149.96 128.74 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 496' ' ' GLN . . . . . 0.614 ' CD ' ' H ' ' B' ' 496' ' ' GLN . 1.0 OUTLIER -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.3 ttm -160.06 130.43 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.65 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -133.52 141.6 47.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -172.24 145.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.8 p-10 -91.29 125.19 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -120.67 160.17 23.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 52.2 m -94.3 131.86 39.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.57 122.4 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.4 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.88 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.0 p -83.68 -19.75 34.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 39.9 t -135.56 73.43 62.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 508' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.1 Cg_exo -72.61 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.166 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 509' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' B' ' 458' ' ' GLU . 57.0 m80 -58.69 -62.8 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.65 -49.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 511' ' ' ALA . . . . . 0.468 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -54.97 -49.23 71.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -62.98 -48.21 79.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 513' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 517' ' ' VAL . 68.7 mt -61.03 -33.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.61 74.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -57.33 -44.33 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.714 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.23 -52.52 61.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 517' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' B' ' 452' ' ' HIS . 74.1 t -55.43 -47.21 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.89 -51.69 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.769 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 519' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.6 t0 -63.54 -37.48 87.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.762 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 33.1 tpp -64.43 -49.37 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 521' ' ' GLU . . . . . 0.406 ' HB3' HH12 ' A' ' 259' ' ' ARG . 94.3 mt-10 -62.59 -45.29 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 522' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 23.3 t-20 -56.89 -41.46 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -70.59 -38.49 74.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.776 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 524' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' B' ' 524' ' ' ILE . 27.4 mm -74.44 -24.35 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 525' ' ' ARG . . . . . 0.649 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.68 -27.66 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.701 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 526' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.1 t -85.04 -38.71 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.713 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 61.8 p -66.07 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.659 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 4.1 mp -64.97 -42.38 94.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -68.56 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 530' ' ' GLU . . . . . 0.963 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.32 -54.45 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.652 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.48 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 532' ' ' TYR . . . . . 0.659 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 20.9 m-85 -50.29 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.79 40.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 534' ' ' GLY . . . . . 0.963 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' B' ' 536' ' ' THR . 17.8 mtpt -56.91 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.514 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.642 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 42.4 p -34.72 -58.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.34 -53.32 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -53.16 -44.91 68.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 539' ' ' ILE . . . . . 0.598 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 36.0 mm -61.8 -36.03 71.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.44 -42.0 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.78 -17.1 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.32 48.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.461 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.11 -51.46 46.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 544' ' ' ARG . . . . . 0.545 ' NH1' ' CZ3' ' A' ' 173' ' ' TRP . 32.9 ptt180 -141.79 170.09 16.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 545' ' ' SER . . . . . . . . . . . . . 35.5 t -142.17 137.88 31.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 546' ' ' ILE . . . . . 0.518 HG23 ' N ' ' B' ' 547' ' ' ASP . 13.5 tt -69.1 -43.51 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 547' ' ' ASP . . . . . 0.518 ' N ' HG23 ' B' ' 546' ' ' ILE . 83.8 m-20 -82.9 138.61 33.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.625 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 548' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.48 122.08 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 551' ' ' ASP . 80.5 mt -79.49 112.78 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.5 Cg_exo -46.66 80.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 50.1 p-10 -25.32 145.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.635 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -129.86 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.27 -24.78 27.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' B' ' 558' ' ' LEU . 5.5 ttpm? -52.54 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -45.24 -56.64 4.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -46.94 83.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.706 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 557' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' B' ' 557' ' ' GLN . 15.6 tm0? -65.84 -29.62 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 558' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.2 tp -77.78 -30.4 51.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.55 -36.32 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -58.24 -40.54 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 561' ' ' GLU . . . . . 0.585 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.1 mm-40 -67.83 -61.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.706 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.878 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 49.3 tp -49.09 -40.71 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.7 m -61.19 -76.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.761 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 564' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' B' ' 564' ' ' GLN . 1.3 tm0? -36.71 -13.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.724 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.878 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.1 t -72.07 -42.68 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' B' ' 563' ' ' SER . 43.1 mt -81.46 -35.57 30.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.1 p -70.3 -19.62 63.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -117.55 6.66 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.793 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.859 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 0.9 OUTLIER 139.73 128.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.682 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 571' ' ' ILE . . . . . 0.859 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 57.1 mt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 601' ' ' MET . . . . . 0.506 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.2 m 62.15 5.96 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.515 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -49.81 -37.84 32.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 604' ' ' LYS . . . . . 0.45 ' NZ ' ' OD1' ' B' ' 409' ' ' ASP . 57.6 mttt -69.64 -52.22 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.1 -28.91 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -75.67 -53.64 8.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 607' ' ' MET . . . . . . . . . . . . . 38.4 ttp -72.87 -36.74 67.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -56.81 -16.0 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 609' ' ' ALA . . . . . 0.422 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.61 13.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.3 2.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 611' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' C' ' 609' ' ' ALA . 63.5 tttp -102.06 -66.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.35 -4.31 21.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 613' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.03 21.93 58.31 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 614' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' C' ' 617' ' ' GLU . 11.1 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 615' ' ' LEU . . . . . 0.944 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.6 tm? -44.98 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 616' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.7 m-20 -77.74 -27.52 50.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.527 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 617' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' C' ' 614' ' ' ASP . 53.1 tp10 -81.49 -49.86 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 618' ' ' VAL . . . . . 0.505 ' CG1' HD22 ' C' ' 615' ' ' LEU . 12.0 p -62.9 -28.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 619' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 63.5 tttm -66.29 -21.83 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 620' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.0 t0 -75.34 -45.4 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.94 -59.22 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.71 -27.88 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 623' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.67 -16.79 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.603 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 625' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.36 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 626' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' C' ' 625' ' ' GLY . 6.5 pt-20 34.26 95.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 627' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 89.2 m-20 -140.98 62.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 628' ' ' VAL . . . . . 0.656 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.3 t -121.93 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -173.02 5.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.668 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 630' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.8 mtt-85 -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.05 87.66 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.635 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 46.5 tp -31.35 -88.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.566 ' OE1' ' NH1' ' A' ' 260' ' ' ARG . 75.1 tt0 -71.71 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.66 -11.34 0.07 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 635' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.44 22.74 0.18 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -127.93 164.91 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 637' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' C' ' 639' ' ' LEU . 3.4 pttt -108.41 156.99 37.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 638' ' ' PRO . . . . . 0.503 ' O ' HD22 ' C' ' 654' ' ' LEU . 56.7 Cg_endo -73.68 25.07 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.83 2.354 . . . . 0.0 112.093 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 639' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' C' ' 637' ' ' LYS . 6.3 mp -117.78 -16.29 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.23 -43.86 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -71.73 -36.01 70.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.443 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 642' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.89 -44.97 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.47 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 644' ' ' ASP . . . . . 0.584 ' OD2' ' NZ ' ' B' ' 442' ' ' LYS . 16.7 t0 -60.63 -35.69 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 21.8 p -160.89 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 646' ' ' GLY . . . . . 0.674 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 647' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.1 mt-30 51.74 4.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.493 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 648' ' ' LEU . . . . . 0.878 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.57 7.01 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.8 -12.58 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.57 -36.12 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.618 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 1.125 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.31 -52.95 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 652' ' ' GLU . . . . . 0.859 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 44.4 tt0 -56.22 -22.58 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 85.3 t80 -75.84 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 654' ' ' LEU . . . . . 0.656 ' O ' HG11 ' C' ' 628' ' ' VAL . 0.6 OUTLIER -41.41 6.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.8 tp -102.91 -47.87 4.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.564 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.31 -25.41 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -72.75 -90.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 658' ' ' GLY . . . . . 0.592 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.33 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 659' ' ' ALA . . . . . 0.697 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.03 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.565 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 660' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' C' ' 662' ' ' ASN . 70.2 m-20 -57.4 10.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 661' ' ' ILE . . . . . 0.697 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.3 tt -66.04 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 662' ' ' ASN . . . . . 1.096 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 21.6 t30 -163.68 -18.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 663' ' ' ALA . . . . . 0.76 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.61 0.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 664' ' ' PRO . . . . . 1.096 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 58.9 Cg_exo -47.0 120.82 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.104 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 665' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.6 p-10 -125.88 -50.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 666' ' ' LYS . . . . . 0.422 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 43.7 mmtm -78.76 -16.19 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 667' ' ' HIS . . . . . 0.527 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 37.8 m80 -80.45 -6.32 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 40.52 37.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 669' ' ' ILE . . . . . 0.485 HG22 ' O ' ' C' ' 667' ' ' HIS . 15.7 tt -176.84 147.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 670' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 671' ' ' PRO . . . . . 0.461 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.53 -30.49 12.16 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.105 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 10.2 tp -45.37 -49.03 13.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 673' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' C' ' 703' ' ' THR . 14.3 mt -67.88 -27.81 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 674' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.3 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.534 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 675' ' ' ALA . . . . . 0.407 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.57 -29.97 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 676' ' ' VAL . . . . . 0.648 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 4.0 t -47.18 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 677' ' ' TYR . . . . . 0.482 ' N ' HG12 ' C' ' 676' ' ' VAL . 1.5 t80 -77.81 39.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 678' ' ' GLU . . . . . 0.672 ' HG2' ' HZ3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -124.47 -28.67 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.3 72.46 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 680' ' ' HIS . . . . . 0.897 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.5 m80 -72.0 -53.47 12.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 681' ' ' VAL . . . . . 0.753 ' O ' HG22 ' C' ' 684' ' ' VAL . 9.4 m 43.27 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 682' ' ' SER . . . . . 0.897 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.2 m -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 683' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.0 p -90.92 -48.68 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 684' ' ' VAL . . . . . 0.753 HG22 ' O ' ' C' ' 681' ' ' VAL . 2.9 m -41.89 -34.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 685' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' C' ' 687' ' ' LEU . 98.7 mttt -62.52 -73.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.94 1.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 687' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' C' ' 685' ' ' LYS . 8.2 tp -81.95 -70.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 688' ' ' LEU . . . . . 0.426 ' N ' HD12 ' C' ' 688' ' ' LEU . 10.9 mp -45.64 -21.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 689' ' ' SER . . . . . 0.41 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.7 m -55.73 -21.52 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -99.64 -6.31 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.579 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.5 OUTLIER 33.14 -128.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 694' ' ' LYS . . . . . 0.5 ' HG3' HG22 ' C' ' 695' ' ' THR . 61.8 pttt -152.49 -23.69 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 695' ' ' THR . . . . . 0.687 ' O ' HG23 ' C' ' 695' ' ' THR . 9.3 t -156.49 73.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.558 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 696' ' ' VAL . . . . . 0.429 HG22 ' OD2' ' C' ' 693' ' ' ASP . 4.9 t -93.45 -29.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -140.16 23.55 2.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.72 142.75 20.3 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 699' ' ' PRO . . . . . 0.641 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 76.3 Cg_exo -44.77 -27.73 2.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.817 2.345 . . . . 0.0 112.162 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 700' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 36.2 t0 157.7 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 701' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.8 tt -53.85 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.577 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 703' ' ' THR . . . . . 0.884 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 0.0 OUTLIER 16.16 -95.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 704' ' ' ALA . . . . . 0.525 ' N ' ' OG1' ' C' ' 703' ' ' THR . . . -106.61 -18.66 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 705' ' ' LEU . . . . . 0.56 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.6 tt -62.87 -75.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -80.76 15.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 707' ' ' ALA . . . . . 0.884 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 708' ' ' THR . . . . . 0.575 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.3 m -139.76 -142.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 709' ' ' ASP . . . . . 0.575 ' H ' HG22 ' C' ' 708' ' ' THR . 52.8 p30 -148.78 -4.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -72.56 151.84 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -71.56 -20.52 62.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.3 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -37.72 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.01 -29.94 23.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 716' ' ' LEU . . . . . 1.072 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.06 98.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 717' ' ' LEU . . . . . 1.072 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.5 mm? 124.11 -176.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.595 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 718' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 34.6 tt0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.595 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 8' ' ' VAL . 11.2 p -54.08 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.759 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.1 t -45.98 163.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.94 -33.56 76.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.49 -39.32 87.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' HG2' HH21 ' A' ' 15' ' ' ARG . 95.2 mt-10 -67.55 -40.97 84.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -63.77 -35.89 82.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.19 -43.78 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.416 HH21 ' HG2' ' A' ' 12' ' ' GLU . 74.4 mtm180 -61.6 -39.66 92.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.719 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.445 HD12 ' CG ' ' B' ' 327' ' ' ASP . 38.2 mm -65.47 -47.33 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.86 75.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.58 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.6 tttt -65.91 -41.37 91.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -65.14 -44.89 87.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.62 -46.52 85.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -76.02 8.48 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.618 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -123.74 15.35 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.93 81.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.544 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 17.6 Cg_endo -68.16 167.52 21.71 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.806 2.338 . . . . 0.0 112.054 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.552 ' O ' ' ND2' ' A' ' 170' ' ' ASN . 47.8 Cg_endo -70.91 116.16 4.56 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.755 2.303 . . . . 0.0 112.175 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.12 21.57 35.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.544 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 47.8 mp0 -149.34 37.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.803 0.335 . . . . 0.0 110.523 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 51.7 p90 -73.94 -48.86 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 42.0 t30 -57.05 -57.32 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' CD ' HH21 ' B' ' 315' ' ' ARG . 99.0 mt-10 -44.54 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.83 -42.48 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 39.4 t80 -59.24 -50.81 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.11 -37.89 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.1 -42.07 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.04 -41.88 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -56.32 -54.79 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.404 HD22 ' SG ' ' B' ' 308' ' ' CYS . 9.8 mp -59.34 -34.76 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 mt -73.2 -49.72 26.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD12 HD22 ' B' ' 331' ' ' LEU . 13.4 tp -61.75 -32.63 72.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.554 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.0 t30 46.61 49.69 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.6 m-20 -168.6 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -51.89 -37.88 54.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.615 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -54.14 -44.17 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.31 -30.87 54.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 40.1 tp -62.74 -38.68 91.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -66.25 -35.47 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -41.06 -59.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.09 -56.83 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.607 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.54 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -54.29 -37.05 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.576 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.4 12.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.55 -56.62 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.56 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' ALA . 67.4 tp60 -33.61 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.567 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -60.02 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -46.97 -30.94 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.692 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -68.88 -66.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.692 ' N ' ' HG3' ' A' ' 59' ' ' MET . 53.9 t0 -67.94 10.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 1.3 tm0? -124.5 24.76 7.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.618 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 51.7 m-85 23.9 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.488 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.0 m -58.78 111.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -75.68 115.17 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.943 2.429 . . . . 0.0 112.212 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.626 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.5 p -109.38 165.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.626 ' N ' HG22 ' A' ' 65' ' ' VAL . 13.0 ptpt -125.19 103.99 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 43.9 mt -51.56 148.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 78.1 tt0 -13.24 -78.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.37 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 67.1 m-85 -137.41 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 13.8 p-10 20.17 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 1.068 ' O ' ' N ' ' A' ' 74' ' ' VAL . 55.2 t0 -98.76 19.37 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 12.6 mm100 -0.24 50.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.068 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.8 p -63.98 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.727 ' N ' HG22 ' A' ' 74' ' ' VAL . 42.5 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.511 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.04 105.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.57 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 4.9 p -130.12 -176.97 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.612 ' N ' ' SD ' ' A' ' 59' ' ' MET . 14.3 tm-20 -78.72 -31.33 46.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.629 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 144' ' ' TYR . 32.7 m-70 -63.89 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.67 50.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -85.45 100.02 11.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.6 -51.57 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -116.16 1.31 13.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.742 0.306 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.16 -15.76 9.35 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.639 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.67 9.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.555 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 54.0 m-85 -114.5 -170.61 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' OH ' ' A' ' 144' ' ' TYR . 80.3 mt -118.29 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.7 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 33.6 t0 -139.3 89.04 12.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.1 Cg_endo -61.03 -36.68 81.23 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.834 2.356 . . . . 0.0 112.005 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.705 HH22 ' NH2' ' A' ' 129' ' ' ARG . 64.8 mtp180 -59.49 -75.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -20.35 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.514 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.7 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 67.9 mttm 62.72 62.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.553 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 33.1 pt -146.48 154.46 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.817 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 2.1 t -92.71 133.0 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 31.1 p90 -140.08 136.67 33.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.697 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 64.4 tttm -88.7 113.39 24.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.872 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 52.1 t80 -82.65 133.06 35.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 102' ' ' ARG . 5.0 m-20 -104.56 90.2 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -36.45 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.623 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.5 tp -47.45 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.576 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.5 tpp180 -52.85 156.31 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -88.85 2.29 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 80.6 mm-40 -117.19 150.21 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.872 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.22 79.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 71.4 m -95.52 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.5 OUTLIER 73.7 54.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.542 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.817 ' HA ' ' O ' ' A' ' 95' ' ' SER . 59.1 Cg_endo -73.5 -177.82 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.866 2.377 . . . . 0.0 112.046 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.811 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.1 tt0 -160.11 124.57 2.11 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -47.16 130.99 17.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -122.88 102.49 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 51.2 p-10 -75.48 88.41 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.669 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 68.7 p -46.89 164.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.549 ' H ' ' HD3' ' A' ' 118' ' ' LYS . 2.0 p 71.96 35.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.77 -59.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 59.9 tp -104.14 3.31 32.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.551 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -53.93 -41.93 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.521 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' LYS . 85.2 mt-30 -39.24 -55.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -62.57 -47.62 83.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.819 HH21 ' H ' ' A' ' 145' ' ' GLY . 23.8 ttm180 -53.88 -80.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.566 ' C ' ' O ' ' A' ' 121' ' ' ARG . 82.8 m-20 -25.41 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.5 t -51.11 -48.57 61.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.465 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.1 t0 -40.42 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.1 m -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.41 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.83 -12.27 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.705 ' NH2' HH22 ' A' ' 91' ' ' ARG . 22.1 tpt180 -66.33 -32.78 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.68 -39.22 24.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.46 ' HB2' ' CG2' ' A' ' 229' ' ' ILE . 45.8 t80 -54.76 -38.8 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 136' ' ' TYR . 4.7 p -74.74 -40.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 52.4 mmtt -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.2 m-20 -147.58 7.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.511 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.509 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.3 m80 -151.05 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.504 ' OH ' ' NE1' ' A' ' 173' ' ' TRP . 37.3 m-85 -114.68 106.45 52.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.767 2.312 . . . . 0.0 112.044 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -127.56 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.62 12.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.622 ' HB2' HD21 ' A' ' 75' ' ' LEU . 67.7 m-85 -135.08 158.15 45.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.844 0.354 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.5 p -129.55 162.29 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 78.2 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 47.4 t -75.74 143.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 146' ' ' LYS . 11.1 t80 -120.24 124.28 45.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.819 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.73 84.51 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.575 ' CG ' ' N ' ' A' ' 147' ' ' SER . 55.0 tttm -123.79 167.33 14.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.358 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' A' ' 146' ' ' LYS . 72.5 m -107.57 115.44 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 20.9 mt -91.1 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 59.0 t0 46.61 54.23 9.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.73 4.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLN . . . . . 0.732 ' CG ' ' O ' ' A' ' 148' ' ' ILE . 10.1 pt20 -53.84 129.83 35.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLN . . . . . 1.053 ' O ' HG13 ' A' ' 181' ' ' ILE . 10.5 mt-30 -85.76 150.49 24.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 2.7 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.678 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.492 HD13 HD21 ' A' ' 117' ' ' LEU . 10.3 mm -108.52 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.427 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 144' ' ' TYR . 2.9 mt -98.11 117.08 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.9 116.03 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.1 m -106.04 135.43 47.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.77 137.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.199 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.6 tm-20 -131.39 151.92 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.991 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' HIS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 8.3 p-80 -140.7 170.55 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.982 0.42 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -148.56 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.238 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -65.41 147.5 53.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.001 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.49 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 0.4 OUTLIER -167.96 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.295 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 165' ' ' PRO . . . . . 0.682 ' O ' ' N ' ' A' ' 167' ' ' ASN . 23.8 Cg_exo -60.73 -52.04 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.736 2.291 . . . . 0.0 112.165 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ASN . . . . . 0.682 ' N ' ' O ' ' A' ' 165' ' ' PRO . 0.6 OUTLIER -121.95 -10.43 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.829 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 50.3 m-85 70.07 80.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' TRP . . . . . 0.829 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.1 p-90 158.83 127.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.711 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 26' ' ' PRO . 1.6 p-10 -135.99 162.35 33.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.528 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.11 29.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ARG . . . . . 0.701 HH11 ' NE ' ' A' ' 174' ' ' ARG . 9.2 ttm180 -165.68 136.61 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.383 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' TRP . . . . . 0.841 ' CZ3' HD11 ' A' ' 194' ' ' ILE . 7.1 t-105 -107.55 138.92 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.701 ' NE ' HH11 ' A' ' 172' ' ' ARG . 73.2 mtm180 -125.31 152.31 44.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.226 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' SER . . . . . 0.643 ' HG ' ' HE1' ' A' ' 173' ' ' TRP . 0.7 OUTLIER -166.31 111.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.046 -179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 81.8 tt0 -116.36 124.73 50.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.128 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' TRP . . . . . 0.887 ' CZ2' HG23 ' A' ' 232' ' ' ILE . 40.3 m95 -120.63 117.0 26.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.64 119.81 38.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.335 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' PHE . . . . . 0.72 ' O ' ' HA ' ' A' ' 153' ' ' THR . 19.5 m-85 -117.47 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.745 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 181' ' ' ILE . 18.8 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ILE . . . . . 1.053 HG13 ' O ' ' A' ' 152' ' ' GLN . 1.8 pp -164.34 151.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.637 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' THR . . . . . 0.931 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.47 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.433 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 1.056 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.2 Cg_exo -34.41 12.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.447 2.764 . . . . 0.0 112.68 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' PRO . . . . . 0.931 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.1 Cg_endo -79.92 -4.26 13.25 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.834 2.356 . . . . 0.0 112.101 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' THR . . . . . 1.037 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.69 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.296 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.169 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.89 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.925 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' GLN . . . . . 1.048 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 3.1 mp0 -106.8 -114.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.2 t 145.64 173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.776 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.44 -167.52 2.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.545 HG23 ' OD1' ' A' ' 211' ' ' ASP . 2.0 p -165.78 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.5 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 192' ' ' LEU . 6.9 mp -85.55 157.84 20.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -150.35 147.77 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' ILE . . . . . 0.841 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 23.9 mt -149.45 134.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.23 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -142.32 130.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.958 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.704 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.2 t -132.69 136.66 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.092 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' HIS . . . . . 0.759 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 11.1 t60 -126.56 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 198' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 51.0 t80 -145.55 87.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.607 ' CG ' ' O ' ' A' ' 199' ' ' TYR . 1.4 t80 -100.08 87.72 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' GLU . . . . . 1.066 ' O ' ' CG ' ' A' ' 201' ' ' ASP . 58.2 tt0 -129.41 52.18 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ASP . . . . . 1.066 ' CG ' ' O ' ' A' ' 200' ' ' GLU . 51.1 p30 114.82 2.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.393 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' GLY . . . . . 0.432 ' HA3' HD22 ' B' ' 493' ' ' LEU . . . -157.66 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -172.82 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 129.16 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' GLN . . . . . 0.704 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 9.8 mt-30 -136.81 154.14 50.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 206' ' ' LEU . . . . . 0.481 HD22 ' OH ' ' A' ' 247' ' ' TYR . 12.7 tp -122.27 87.17 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.02 122.21 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.419 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 7.2 p -149.61 147.22 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.747 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -157.82 145.15 18.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.162 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -135.44 129.03 32.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' ASP . . . . . 0.545 ' OD1' HG23 ' A' ' 191' ' ' VAL . 96.8 m-20 -103.55 129.83 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.196 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.7 tt -127.15 154.83 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.947 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -150.13 102.58 3.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 214' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 98.5 m-20 -118.81 166.06 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.747 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 215' ' ' SER . . . . . 1.048 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 33.5 p -117.75 103.36 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 216' ' ' VAL . . . . . 1.169 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 81.3 t -91.9 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 217' ' ' GLN . . . . . 1.037 ' HA ' ' O ' ' A' ' 185' ' ' THR . 77.9 mt-30 -102.63 128.06 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' VAL . . . . . 1.089 HG23 ' HB2' ' A' ' 186' ' ' ALA . 79.7 t -86.04 137.52 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.624 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 43.8 m -131.02 -98.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.0 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' ASP . . . . . 0.482 ' O ' HG22 ' A' ' 224' ' ' THR . 65.6 t0 -86.87 -62.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.11 -24.69 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -73.94 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 221' ' ' ASP . 5.0 t -54.55 -36.97 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 225' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.52 -57.09 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.11 -30.49 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.43 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.63 -38.75 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.448 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -67.74 -53.87 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 229' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.8 mm -52.13 -27.38 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.363 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -74.86 -36.73 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 231' ' ' ILE . . . . . 0.424 HG13 HG21 ' A' ' 216' ' ' VAL . 4.4 mm -67.5 -41.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.479 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 232' ' ' ILE . . . . . 0.887 HG23 ' CZ2' ' A' ' 177' ' ' TRP . 98.6 mt -70.11 -44.49 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -56.99 -47.03 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -69.62 -43.93 71.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.87 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.43 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 237' ' ' ASN . . . . . 0.531 ' HA ' HH22 ' B' ' 544' ' ' ARG . 93.4 m-20 -60.05 -40.21 88.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.418 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.78 -34.38 73.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.44 -44.44 74.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 240' ' ' GLN . . . . . 0.447 ' CB ' ' NH2' ' B' ' 544' ' ' ARG . 50.7 tp60 -68.15 -38.95 82.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 83.8 m -61.45 -45.74 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.49 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.18 -47.51 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.69 -34.22 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -42.89 84.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.15 -34.61 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 247' ' ' TYR . . . . . 0.481 ' OH ' HD22 ' A' ' 206' ' ' LEU . 2.8 m-85 -64.92 -31.89 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.21 -50.91 19.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 249' ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' ' 253' ' ' THR . 42.8 p -64.77 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 50.3 mtt -72.9 -14.49 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 251' ' ' SER . . . . . 0.443 ' O ' ' NZ ' ' A' ' 256' ' ' LYS . 3.2 p -113.01 -10.09 13.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 93.8 m-20 -132.12 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.8 m 175.72 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 254' ' ' THR . . . . . 0.538 ' N ' HG22 ' A' ' 253' ' ' THR . 7.0 m -53.52 -61.24 2.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -47.68 -57.49 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 256' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 251' ' ' SER . 64.6 mttp -64.27 -11.74 34.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.21 30.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 259' ' ' ARG . . . . . 0.771 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 15.6 ttp180 -98.64 174.48 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 260' ' ' ARG . . . . . 0.771 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 0.0 OUTLIER -109.17 153.18 24.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.73 -11.2 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 262' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 262' ' ' LEU . 0.3 OUTLIER -163.67 133.28 3.1 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 263' ' ' PRO . . . . . 0.739 ' HG3' ' CZ ' ' B' ' 411' ' ' TYR . 34.3 Cg_exo -43.96 135.39 7.86 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.892 2.395 . . . . 0.0 112.087 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 264' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 264' ' ' VAL . 21.6 t -37.76 -38.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 265' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 265' ' ' THR . 89.2 m -64.15 -5.46 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.9 ttm180 54.17 55.57 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 267' ' ' THR . . . . . 0.627 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.25 114.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.405 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 268' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 267' ' ' THR . 24.6 mtmm -16.76 131.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.626 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 269' ' ' ILE . . . . . 0.447 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 7.5 tt -50.23 158.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 270' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 273' ' ' LYS . 10.6 t70 -117.12 58.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 271' ' ' TRP . . . . . 0.593 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.37 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 272' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 270' ' ' ASP . 44.1 t30 -44.55 -25.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 273' ' ' LYS . . . . . 1.247 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 19.0 pttt -99.93 -7.71 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.661 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 274' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' A' ' 271' ' ' TRP . 1.3 tp -103.19 -1.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 275' ' ' LEU . . . . . 0.728 ' O ' ' CB ' ' A' ' 276' ' ' SER . 77.0 mt -111.09 44.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 276' ' ' SER . . . . . 1.309 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.4 m 141.94 -38.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 277' ' ' TYR . . . . . 1.247 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.7 t80 -31.01 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 278' ' ' LYS . . . . . 1.309 ' N ' ' O ' ' A' ' 276' ' ' SER . 99.4 mttt -107.67 80.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.2 pt 54.21 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.64 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.528 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 302' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 16.1 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -42.8 -51.22 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.36 -34.12 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 305' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 302' ' ' SER . 90.6 mt-30 -60.77 -49.03 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.2 -40.67 77.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.411 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.92 -40.8 95.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 308' ' ' CYS . . . . . 0.404 ' SG ' HD22 ' A' ' 38' ' ' LEU . 94.0 m -68.14 -37.21 80.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.362 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 309' ' ' ALA . . . . . 0.709 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.16 -42.15 96.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.357 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.36 -38.35 84.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -68.31 -33.71 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.79 -43.73 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 79.1 mmm -64.37 -25.61 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 314' ' ' ARG . . . . . 0.588 ' NH2' ' OH ' ' A' ' 199' ' ' TYR . 3.9 mtp180 -82.28 -12.34 58.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.42 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 315' ' ' ARG . . . . . 0.563 HH21 ' CD ' ' A' ' 31' ' ' GLU . 27.6 mmt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.67 147.74 95.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 317' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' B' ' 318' ' ' PRO . 50.8 Cg_exo -49.63 128.38 20.93 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.808 2.338 . . . . 0.0 112.047 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 318' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' ' 317' ' ' PRO . 6.8 Cg_exo -71.43 -4.05 14.21 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.878 2.385 . . . . 0.0 112.041 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -80.61 -17.76 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -123.92 39.42 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 321' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 318' ' ' PRO . 35.6 mm -63.4 -40.79 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.74 -60.85 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.38 42.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -54.71 -55.77 26.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.439 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' B' ' 345' ' ' GLN . 42.8 tp -47.14 -48.92 23.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.5 t -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.424 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 327' ' ' ASP . . . . . 0.445 ' CG ' HD12 ' A' ' 16' ' ' ILE . 53.6 m-20 -62.39 -40.76 97.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 328' ' ' LEU . . . . . 0.709 HD21 ' HB1' ' B' ' 309' ' ' ALA . 62.4 tp -55.51 -41.08 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.47 -41.11 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -57.81 -37.96 74.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.42 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 331' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.1 mt -71.25 -29.11 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.57 84.63 9.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -68.08 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.76 2.307 . . . . 0.0 112.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.0 m -89.31 -6.5 56.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 335' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 79.1 mt -119.04 20.92 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 336' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 27.1 p -64.15 -55.83 19.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 337' ' ' GLU . . . . . 0.584 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 81.0 tt0 -60.39 -50.36 73.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.76 -36.14 73.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 339' ' ' LEU . . . . . 0.478 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.1 mt -79.09 -28.62 43.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 44.2 mt -81.49 12.4 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.8 p -144.09 -3.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.6 t -119.33 -15.49 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.87 120.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.466 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.87 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 345' ' ' GLN . . . . . 0.418 ' OE1' ' CD2' ' B' ' 325' ' ' LEU . 0.0 OUTLIER -129.35 165.92 29.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.481 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.41 125.27 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.849 2.366 . . . . 0.0 112.095 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.7 122.44 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.663 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -88.59 148.77 23.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.455 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.3 tt -102.98 136.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.74 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 350' ' ' ALA . . . . . 0.724 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.67 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.481 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -114.34 143.34 45.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.605 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.962 ' O ' ' N ' ' B' ' 356' ' ' GLY . 40.6 t0 -111.92 81.44 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.456 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.9 mttt -37.24 -62.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 97.3 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.94 -25.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 356' ' ' GLY . . . . . 0.962 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.69 70.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' B' ' 352' ' ' ASP . 98.4 mttt -115.14 154.93 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 358' ' ' ASP . . . . . 0.724 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.0 m-20 -94.75 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 359' ' ' TYR . . . . . 0.682 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.7 p90 -139.66 135.78 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.22 156.64 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.6 mt -108.54 158.56 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.615 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 362' ' ' CYS . . . . . 0.463 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 20.2 p -168.19 168.65 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 7.7 p-10 -75.5 -10.25 59.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.4 -18.24 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 365' ' ' ASN . . . . . 0.463 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 53.3 p30 -123.16 24.73 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -119.94 129.81 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.511 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -122.18 99.48 6.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.09 -98.67 1.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.34 8.67 7.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 370' ' ' SER . . . . . 0.995 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 4.5 m -122.33 161.32 23.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 371' ' ' TYR . . . . . 1.106 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.4 OUTLIER -118.29 150.84 38.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.499 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 372' ' ' ARG . . . . . 0.458 ' NH2' ' HB3' ' B' ' 387' ' ' ALA . 17.5 mtt180 -98.78 124.73 43.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 373' ' ' SER . . . . . 0.587 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 96.1 p -79.66 133.77 58.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.91 -14.71 19.13 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.788 2.326 . . . . 0.0 112.227 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -85.89 -66.31 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 376' ' ' SER . . . . . 0.496 ' HG ' ' HG ' ' B' ' 373' ' ' SER . 80.1 p -83.05 -18.62 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.663 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 377' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 373' ' ' SER . 10.7 m-80 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -141.55 137.89 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 379' ' ' TYR . . . . . 1.106 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.76 140.4 58.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 380' ' ' ASP . . . . . 0.755 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.91 -60.48 6.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.328 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 381' ' ' PRO . . . . . 0.995 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.45 120.0 7.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.022 2.481 . . . . 0.0 112.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -41.53 79.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.96 2.44 . . . . 0.0 112.317 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.732 HD23 ' H ' ' B' ' 384' ' ' GLU . 0.4 OUTLIER -84.51 177.52 8.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.732 ' H ' HD23 ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -117.0 66.03 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 386' ' ' GLY . . . . . 0.832 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.2 151.71 47.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 387' ' ' ALA . . . . . 0.458 ' HB3' ' NH2' ' B' ' 372' ' ' ARG . . . -64.03 127.32 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -132.25 148.59 70.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.97 150.75 49.36 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.779 2.319 . . . . 0.0 112.172 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.4 m -52.67 142.87 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.54 -43.79 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.546 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -67.93 -37.77 82.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.84 -42.46 70.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.391 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -55.32 -36.79 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.51 -46.63 85.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.32 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.37 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -67.77 -38.01 82.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.09 -40.27 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.38 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.76 -36.95 78.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.321 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.89 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -63.97 -38.94 92.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.22 -40.32 67.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.01 78.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 404' ' ' PHE . . . . . 0.5 ' CZ ' HD13 ' B' ' 432' ' ' ILE . 17.1 m-85 -69.33 -29.22 67.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 405' ' ' ASP . . . . . 0.462 ' CG ' HH21 ' B' ' 408' ' ' ARG . 12.1 t70 -54.58 -38.91 67.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -77.01 -32.93 57.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 407' ' ' TYR . . . . . 0.511 ' O ' ' CD1' ' B' ' 411' ' ' TYR . 34.8 t80 -69.73 -18.61 63.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 408' ' ' ARG . . . . . 0.583 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.82 -35.48 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -85.16 -8.98 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.602 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 410' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 41.1 mt -95.83 -17.95 20.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 411' ' ' TYR . . . . . 0.739 ' CZ ' ' HG3' ' A' ' 263' ' ' PRO . 2.2 m-85 -118.81 -38.12 3.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 412' ' ' PHE . . . . . 0.568 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 5.5 m-85 -100.55 -25.93 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 413' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 80.3 mt-10 63.44 24.38 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.72 -154.45 25.41 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.44 -163.51 52.91 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 416' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 417' ' ' SER . 58.8 t -128.66 153.72 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 110.462 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 417' ' ' SER . . . . . 0.583 ' N ' HH12 ' B' ' 408' ' ' ARG . 36.3 t -143.6 148.52 36.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.683 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 43.9 t -148.2 143.97 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.88 130.26 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.767 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 420' ' ' TYR . . . . . 0.538 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 12.7 t80 -128.48 132.46 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.334 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.66 158.41 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.737 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -154.48 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -42.99 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.621 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 424' ' ' LEU . . . . . 0.475 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.1 tp -127.87 -147.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.563 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 425' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 426' ' ' HIS . 0.9 OUTLIER -87.33 -49.81 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 426' ' ' HIS . . . . . 0.532 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 98.9 m-70 -129.8 30.72 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.67 2.57 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.67 154.13 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -123.99 172.84 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 430' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.7 35.05 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 431' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 4.3 p -130.05 126.39 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 432' ' ' ILE . . . . . 0.574 ' O ' ' ND1' ' B' ' 452' ' ' HIS . 14.8 mt -103.35 113.59 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 433' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' B' ' 450' ' ' SER . 24.5 mt -102.81 143.11 32.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 434' ' ' ILE . . . . . 0.514 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 14.5 mt -148.64 119.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.639 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -122.56 127.54 49.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 436' ' ' LYS . . . . . 0.568 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.17 119.61 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.14 40.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.607 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.49 45.13 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -50.74 128.04 19.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.58 9.75 75.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 98.8 p -110.39 -4.24 15.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 110.58 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.18 153.89 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -56.97 -43.75 81.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.627 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 444' ' ' ILE . . . . . 1.053 ' H ' HD13 ' B' ' 444' ' ' ILE . 0.1 OUTLIER -95.13 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -105.81 154.69 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.344 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.46 24.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 31.0 m -149.49 130.6 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.214 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 448' ' ' TRP . . . . . 0.55 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.2 t-105 -114.78 116.26 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 449' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.2 m-20 -109.5 127.19 54.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 450' ' ' SER . . . . . 0.514 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 1.3 m -115.9 122.76 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 90.9 mt -127.96 100.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.217 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 452' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' B' ' 432' ' ' ILE . 2.4 m80 -108.63 132.42 53.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 453' ' ' VAL . . . . . 0.725 ' O ' HG22 ' B' ' 470' ' ' THR . 0.2 OUTLIER -128.73 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 5.8 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -131.8 102.16 5.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.328 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 456' ' ' VAL . . . . . 0.401 HG22 ' CE2' ' B' ' 467' ' ' TYR . 77.1 t -79.06 139.6 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.795 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -123.5 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 458' ' ' GLU . . . . . 0.513 ' CD ' ' N ' ' B' ' 459' ' ' LYS . 8.0 tm-20 -40.32 146.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 459' ' ' LYS . . . . . 0.592 ' CG ' ' O ' ' B' ' 464' ' ' THR . 34.0 mmtm -109.36 141.97 40.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.94 -54.17 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 36.1 p -126.71 146.56 50.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 462' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.75 48.17 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 463' ' ' ARG . . . . . 0.485 HH11 ' HG3' ' B' ' 463' ' ' ARG . 24.3 mmm-85 59.15 -0.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.23 123.59 29.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.445 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 465' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -92.93 126.6 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 467' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' B' ' 456' ' ' VAL . 84.3 m-85 -103.18 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -135.8 86.11 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.173 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.21 157.6 23.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.996 0.427 . . . . 0.0 111.09 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 470' ' ' THR . . . . . 0.74 ' O ' HG23 ' B' ' 470' ' ' THR . 14.7 t -157.89 62.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.05 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 471' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 95.2 p -64.65 174.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.127 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 472' ' ' THR . . . . . 0.515 HG23 ' OG1' ' B' ' 494' ' ' THR . 56.0 m -168.79 87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.151 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 473' ' ' VAL . . . . . 0.528 ' O ' ' OG ' ' B' ' 492' ' ' SER . 97.5 t -69.72 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 474' ' ' MET . . . . . 0.538 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.3 ttt -124.79 96.04 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.136 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 475' ' ' LEU . . . . . 0.726 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.8 OUTLIER -86.7 131.21 34.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 -179.596 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 476' ' ' TRP . . . . . 0.726 ' N ' HD23 ' B' ' 475' ' ' LEU . 0.0 OUTLIER -125.31 130.28 51.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.223 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.4 mt -137.38 124.73 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 110.725 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 478' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' B' ' 479' ' ' THR . 52.5 tt0 -138.24 158.13 44.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 479' ' ' THR . . . . . 0.607 ' HB ' HG22 ' B' ' 444' ' ' ILE . 1.9 t -163.44 127.51 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 480' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 98.8 m-20 -108.2 73.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 481' ' ' LYS . . . . . 0.874 ' O ' ' N ' ' B' ' 485' ' ' GLY . 66.4 tttm -107.61 146.6 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 62.2 p -57.26 -45.96 83.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.66 -25.24 68.74 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 484' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.2 p -125.93 14.86 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 485' ' ' GLY . . . . . 0.874 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 486' ' ' THR . . . . . 0.45 ' N ' ' O ' ' B' ' 484' ' ' SER . 18.5 p -126.06 114.0 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.479 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 487' ' ' MET . . . . . 0.406 ' HB3' ' CG2' ' B' ' 479' ' ' THR . 11.6 ttp -125.11 118.03 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -118.98 123.93 45.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.643 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 489' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 17.9 tp -131.61 76.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.47 -163.85 21.74 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 491' ' ' GLY . . . . . 0.573 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.65 11.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 492' ' ' SER . . . . . 0.573 ' HB2' ' O ' ' B' ' 491' ' ' GLY . 27.0 t 163.24 135.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.478 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 493' ' ' LEU . . . . . 1.055 HD13 ' H ' ' B' ' 494' ' ' THR . 0.2 OUTLIER -110.59 149.43 30.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 494' ' ' THR . . . . . 1.055 ' H ' HD13 ' B' ' 493' ' ' LEU . 55.5 m -127.09 142.86 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.517 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -149.95 128.75 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -92.87 160.58 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 3.1 tpp -160.02 130.46 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 498' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 498' ' ' GLU . 4.0 mp0 -133.49 141.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -172.26 145.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 500' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.4 p-10 -91.23 125.21 35.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 501' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.7 tt0 -120.67 160.19 23.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 76.1 p -94.24 131.8 39.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.6 122.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.94 -35.89 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.2 p -83.6 -19.89 34.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.6 t -135.43 73.4 63.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.614 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.58 -172.54 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.742 2.295 . . . . 0.0 112.176 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -58.79 -62.73 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.474 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 510' ' ' ILE . . . . . 0.421 ' H ' HG13 ' B' ' 510' ' ' ILE . 67.4 mt -42.69 -49.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.29 71.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 512' ' ' ASN . . . . . 0.432 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 46.6 m-20 -62.96 -48.1 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 513' ' ' ILE . . . . . 0.55 ' O ' HG23 ' B' ' 517' ' ' VAL . 67.6 mt -61.07 -33.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 514' ' ' GLY . . . . . 0.505 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.77 -46.53 74.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -57.35 -44.36 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.15 -52.51 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.598 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 517' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 513' ' ' ILE . 94.3 t -55.48 -47.24 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 518' ' ' GLU . . . . . 0.521 ' OE2' ' ND2' ' B' ' 522' ' ' ASN . 5.0 tm-20 -57.89 -51.66 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.81 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 519' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.4 t0 -63.55 -37.5 87.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.733 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.39 -49.37 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.759 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.62 -45.23 93.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 522' ' ' ASN . . . . . 0.521 ' ND2' ' OE2' ' B' ' 518' ' ' GLU . 52.1 m-20 -56.96 -41.43 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -70.61 -38.46 73.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.35 -24.41 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 525' ' ' ARG . . . . . 0.656 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.73 -27.64 66.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.661 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 526' ' ' SER . . . . . 0.538 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 69.2 p -85.04 -38.74 18.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.3 m -66.04 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.649 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 528' ' ' LEU . . . . . 0.682 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 66.1 mt -64.95 -42.38 94.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.692 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -68.5 -31.33 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 530' ' ' GLU . . . . . 0.961 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.4 mt-10 -74.32 -54.44 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.47 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 532' ' ' TYR . . . . . 0.682 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 18.0 m-85 -50.23 -86.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 533' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.59 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 534' ' ' GLY . . . . . 0.961 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.14 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 64.8 mttp -56.94 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 536' ' ' THR . . . . . 0.631 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.6 p -34.78 -58.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.31 -53.29 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.19 -44.94 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 539' ' ' ILE . . . . . 0.626 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 36.6 mm -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.46 -41.95 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -69.76 -17.14 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.49 -27.37 47.98 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 543' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.9 mt -68.11 -51.41 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 544' ' ' ARG . . . . . 0.689 ' HG2' ' H ' ' B' ' 545' ' ' SER . 9.1 ttp180 -141.81 170.09 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 545' ' ' SER . . . . . 0.689 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.4 t -142.22 137.82 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -43.5 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.83 138.62 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 548' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.49 122.11 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.536 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 549' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' B' ' 551' ' ' ASP . 77.8 mt -79.52 112.72 31.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 550' ' ' PRO . . . . . 0.569 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.4 Cg_exo -46.54 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.862 2.375 . . . . 0.0 112.121 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 551' ' ' ASP . . . . . 0.569 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.6 p-10 -25.24 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 552' ' ' ASN . . . . . 0.546 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 45.3 p-10 -129.88 116.11 18.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.57 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 553' ' ' GLN . . . . . 0.644 ' CD ' ' H ' ' B' ' 553' ' ' GLN . 1.4 pm0 -85.21 -24.8 27.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 554' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' B' ' 558' ' ' LEU . 50.5 mtmt -52.55 -64.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 555' ' ' TYR . . . . . 0.546 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.1 m-85 -45.19 -56.71 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -57.53 -46.92 83.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -65.83 -29.71 70.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.805 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 558' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 554' ' ' LYS . 60.9 tp -77.74 -30.36 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.54 -36.4 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -58.22 -40.54 81.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 561' ' ' GLU . . . . . 0.534 ' O ' HG23 ' B' ' 565' ' ' VAL . 80.1 mm-40 -67.81 -61.82 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.648 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 562' ' ' LEU . . . . . 0.889 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 1.1 tt -49.02 -40.77 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.649 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.4 m -61.19 -76.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.683 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -36.64 -13.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.688 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 565' ' ' VAL . . . . . 0.889 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 15.5 t -72.09 -42.74 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 566' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 563' ' ' SER . 76.4 mt -81.4 -35.62 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.0 p -70.28 -19.54 63.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -117.59 6.69 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.1 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 570' ' ' GLN . . . . . 0.798 ' O ' HG22 ' B' ' 571' ' ' ILE . 40.3 tt0 139.8 128.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 571' ' ' ILE . . . . . 0.798 HG22 ' O ' ' B' ' 570' ' ' GLN . 14.0 tt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 601' ' ' MET . . . . . 0.498 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.18 5.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -49.77 -37.85 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -69.68 -52.18 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -55.11 -28.92 56.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.68 -53.68 8.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 607' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 2.7 ptt? -72.75 -36.82 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 608' ' ' TRP . . . . . 0.417 ' N ' ' CG ' ' C' ' 607' ' ' MET . 76.1 t-105 -56.79 -15.99 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 609' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.45 -50.68 13.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 610' ' ' LEU . . . . . 0.668 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.5 mp -66.28 2.06 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 611' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.5 tttm -102.09 -66.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -70.38 -4.26 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 613' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.05 21.81 58.47 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 7.2 m-20 -63.86 49.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 615' ' ' LEU . . . . . 0.977 ' O ' HD13 ' C' ' 615' ' ' LEU . 3.0 tm? -44.97 -17.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.77 -27.53 50.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 617' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' C' ' 614' ' ' ASP . 55.3 tp10 -81.49 -49.86 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.598 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 618' ' ' VAL . . . . . 0.688 HG11 HD11 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -62.84 -28.37 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.563 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 619' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.2 tttp -66.26 -21.86 66.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 620' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.1 t0 -75.32 -45.42 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.96 -59.14 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 11.1 m -57.74 -27.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 623' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.68 -16.81 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 625' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.92 82.39 0.1 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 626' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.1 pt-20 34.27 95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 627' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 48.3 p-10 -140.98 62.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.602 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 628' ' ' VAL . . . . . 0.644 HG11 ' O ' ' C' ' 654' ' ' LEU . 35.5 t -121.98 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -173.02 5.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 630' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' C' ' 631' ' ' THR . 5.8 tpt180 -79.01 166.87 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.1 87.68 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.6 tp -31.29 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 633' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' C' ' 634' ' ' GLY . 12.0 tm-20 -71.69 -76.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 634' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' C' ' 633' ' ' GLU . . . -153.7 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 635' ' ' GLY . . . . . 0.497 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.43 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -127.97 164.88 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.505 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 637' ' ' LYS . . . . . 0.58 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 638' ' ' PRO . . . . . 0.478 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.4 Cg_endo -73.66 25.0 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.871 2.381 . . . . 0.0 112.083 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 639' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.3 mp -117.7 -16.29 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 640' ' ' HIS . . . . . 0.584 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 63.0 t-80 -75.24 -43.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.73 -35.95 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -45.0 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.609 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 644' ' ' ASP . . . . . 0.584 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 33.3 m-20 -60.59 -35.68 76.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 645' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 20.1 m -160.89 65.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.1 4.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 647' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 42.9 tt0 51.74 4.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.569 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 648' ' ' LEU . . . . . 0.896 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.58 7.06 5.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -115.78 -12.64 11.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 650' ' ' ILE . . . . . 0.628 ' O ' HD12 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -87.53 -36.15 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 651' ' ' LEU . . . . . 1.055 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.29 -52.92 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.615 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 652' ' ' GLU . . . . . 0.835 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 82.6 tt0 -56.2 -22.57 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.1 m-85 -75.85 -97.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 654' ' ' LEU . . . . . 0.813 HD12 ' H ' ' C' ' 654' ' ' LEU . 1.9 mp -41.32 6.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.0 tt -102.93 -47.85 4.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.626 ' O ' HD23 ' C' ' 656' ' ' LEU . 0.9 OUTLIER -59.26 -25.38 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.536 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -90.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.518 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 658' ' ' GLY . . . . . 0.6 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.35 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 659' ' ' ALA . . . . . 0.703 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.08 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 660' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' C' ' 662' ' ' ASN . 87.6 m-20 -57.42 10.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 661' ' ' ILE . . . . . 0.703 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.9 tp -66.09 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 662' ' ' ASN . . . . . 1.106 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.1 p30 -163.7 -18.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 663' ' ' ALA . . . . . 0.775 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.1 -33.68 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 664' ' ' PRO . . . . . 1.106 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 84.6 Cg_exo -46.94 120.79 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.882 2.388 . . . . 0.0 112.123 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 665' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.5 p-10 -125.9 -50.44 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 666' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 69.0 mttm -78.79 -16.16 57.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 667' ' ' HIS . . . . . 0.505 ' O ' HG22 ' C' ' 669' ' ' ILE . 35.5 m80 -80.44 -6.31 57.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 40.53 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.644 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 669' ' ' ILE . . . . . 0.505 HG22 ' O ' ' C' ' 667' ' ' HIS . 17.1 tt -176.89 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 670' ' ' THR . . . . . 0.414 HG23 ' H ' ' C' ' 670' ' ' THR . 0.2 OUTLIER -96.23 168.7 10.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 671' ' ' PRO . . . . . 0.452 ' O ' ' OG ' ' C' ' 674' ' ' SER . 55.0 Cg_endo -72.46 -30.53 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.85 2.367 . . . . 0.0 112.118 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 1.1 tp -45.35 -49.06 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 673' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.83 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 674' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 20.5 p -51.78 -40.89 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 675' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.55 -30.02 61.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 676' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 7.9 t -47.13 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 677' ' ' TYR . . . . . 0.42 ' N ' HG12 ' C' ' 676' ' ' VAL . 0.7 OUTLIER -77.84 39.34 0.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 678' ' ' GLU . . . . . 0.64 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 37.6 mm-40 -124.5 -28.68 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.24 -11.29 72.48 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 680' ' ' HIS . . . . . 0.899 ' O ' ' N ' ' C' ' 682' ' ' SER . 48.3 m80 -71.99 -53.48 12.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 681' ' ' VAL . . . . . 0.522 HG12 HD11 ' C' ' 713' ' ' ILE . 1.2 m 43.24 -4.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 682' ' ' SER . . . . . 0.899 ' N ' ' O ' ' C' ' 680' ' ' HIS . 0.3 OUTLIER -67.45 -24.26 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.95 -48.73 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 684' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' C' ' 687' ' ' LEU . 59.0 t -41.86 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 685' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' C' ' 687' ' ' LEU . 88.8 tttt -62.59 -73.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.99 1.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 687' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' C' ' 685' ' ' LYS . 3.4 mt -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 1.1 mp -45.64 -21.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.5 m -55.76 -21.54 19.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -99.61 -6.27 27.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 691' ' ' GLY . . . . . 1.078 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.93 0.42 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 692' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.26 18.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.315 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 693' ' ' ASP . . . . . 1.078 ' N ' ' O ' ' C' ' 691' ' ' GLY . 9.7 p-10 33.09 -128.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 694' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' C' ' 693' ' ' ASP . 26.1 pttm -152.5 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.552 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 695' ' ' THR . . . . . 0.525 ' N ' ' OD2' ' C' ' 693' ' ' ASP . 3.7 m -156.58 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 696' ' ' VAL . . . . . 0.754 HG13 ' CG ' ' C' ' 693' ' ' ASP . 0.0 OUTLIER -93.52 -29.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -140.21 23.57 2.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.78 20.33 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 699' ' ' PRO . . . . . 0.65 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 78.1 Cg_exo -44.73 -27.76 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 700' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.0 t70 157.66 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 701' ' ' GLY . . . . . 0.573 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.81 0.38 89.15 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 702' ' ' LEU . . . . . 0.644 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.4 tt -53.83 -66.67 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.632 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 703' ' ' THR . . . . . 0.867 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 11.8 p 16.19 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 704' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.61 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 705' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.5 tp -62.82 -75.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.75 15.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 707' ' ' ALA . . . . . 0.867 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.45 -70.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 29.4 p -139.78 -142.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -148.79 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -72.59 151.86 42.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -71.53 -20.53 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.14 -60.44 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 713' ' ' ILE . . . . . 0.547 HG23 HG22 ' C' ' 676' ' ' VAL . 35.5 mm -69.99 -37.65 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.05 -29.96 23.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 716' ' ' LEU . . . . . 1.063 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.06 98.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 717' ' ' LEU . . . . . 1.063 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.3 mm? 124.1 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 718' ' ' GLN . . . . . 0.516 ' OXT' ' NE2' ' C' ' 718' ' ' GLN . 37.3 tp60 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.621 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.1 m -54.15 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 m -45.94 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 45.2 p-10 -64.93 -33.58 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 81.8 tt0 -60.48 -39.3 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.541 ' O ' HG12 ' A' ' 16' ' ' ILE . 95.9 mt-10 -67.56 -40.99 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -63.73 -35.87 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 10' ' ' ASP . 61.0 t -65.3 -43.7 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.409 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.6 mtm180 -61.59 -39.71 92.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 12' ' ' GLU . 50.8 mm -65.46 -47.36 87.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.497 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.97 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.68 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 31.4 ttpt -65.86 -41.33 91.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.2 -44.84 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -46.49 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -75.96 8.44 3.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.71 15.3 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.48 146.98 81.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.476 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 13.2 Cg_exo -68.21 167.52 21.8 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.815 2.343 . . . . 0.0 112.025 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -70.93 116.18 4.57 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.733 2.288 . . . . 0.0 112.16 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.52 35.28 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' B' ' 315' ' ' ARG . 94.8 mt-10 -149.29 37.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -73.83 -48.87 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.03 -57.4 12.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -44.52 -54.44 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 36' ' ' VAL . 53.2 t -60.76 -42.51 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.626 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.21 -50.91 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.02 -37.93 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.08 -42.06 97.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 32' ' ' VAL . 92.8 t -67.07 -41.82 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.599 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -56.39 -54.76 41.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD1' ' SG ' ' B' ' 308' ' ' CYS . 64.2 mt -59.31 -34.82 72.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.2 -49.74 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.43 HD12 HD22 ' B' ' 331' ' ' LEU . 13.6 tp -61.73 -32.62 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.53 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.1 t30 46.64 49.69 13.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 7.3 m120 -168.65 79.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.85 -37.97 54.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.13 -44.2 71.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.0 mp -77.3 -30.83 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.695 ' O ' HD23 ' A' ' 46' ' ' LEU . 1.3 tt -62.81 -38.6 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.23 -35.54 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -40.97 -59.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.9 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.14 -56.76 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.835 0.35 . . . . 0.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.53 87.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -54.35 -36.94 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.44 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.59 -56.53 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.568 ' O ' ' SD ' ' A' ' 59' ' ' MET . . . -52.72 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.562 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 92.5 mm-40 -33.65 -45.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.11 -72.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.96 -30.93 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.629 ' SD ' ' N ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -68.87 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.83 10.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 11.1 mm100 -124.58 24.8 7.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.59 ' C ' ' O ' ' A' ' 61' ' ' GLN . 79.5 m-85 23.87 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 31.4 m -58.82 111.36 3.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.8 Cg_exo -75.71 115.23 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.884 2.39 . . . . 0.0 112.211 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.647 HG22 ' N ' ' A' ' 66' ' ' LYS . 7.1 p -109.4 165.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.647 ' N ' HG22 ' A' ' 65' ' ' VAL . 64.9 mttp -125.16 103.97 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.0 mp -51.57 148.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.9 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.519 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.44 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.801 ' O ' ' N ' ' A' ' 72' ' ' ASP . 65.4 m-85 -137.43 14.73 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.618 ' C ' ' O ' ' A' ' 70' ' ' TYR . 34.6 p30 20.23 39.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 1.058 ' O ' ' N ' ' A' ' 74' ' ' VAL . 40.7 t0 -98.73 19.44 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.2 mp0 -0.26 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.058 ' N ' ' O ' ' A' ' 72' ' ' ASP . 11.4 p -63.87 173.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 74' ' ' VAL . 9.9 mp -113.39 152.34 30.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 87' ' ' PHE . 81.5 mt -104.08 105.45 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.764 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 3.0 p -130.11 -176.95 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -31.32 46.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.471 ' CD2' HG21 ' A' ' 155' ' ' ILE . 73.6 m-70 -63.97 -23.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.66 50.56 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.416 ' HA ' ' CD1' ' A' ' 87' ' ' PHE . 67.4 t0 -85.49 100.02 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -49.68 -51.48 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.7 25.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -116.14 1.31 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' CE1' ' A' ' 98' ' ' PHE . . . 121.13 -15.75 9.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -108.37 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.764 ' CE2' ' O ' ' A' ' 77' ' ' THR . 1.4 m-85 -114.48 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 tp -118.3 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.701 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 9.9 t70 -139.33 89.02 12.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.358 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -61.05 -36.67 81.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.826 2.351 . . . . 0.0 112.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HE ' ' NH2' ' A' ' 129' ' ' ARG . 0.5 OUTLIER -59.46 -75.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -76.54 -20.27 57.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 49.1 mttt 62.71 62.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.553 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 6.1 mt -146.45 154.44 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.827 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.8 t -92.72 133.04 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 49.6 p90 -140.11 136.68 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 66.0 tttm -88.7 113.45 24.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.868 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 45.1 p90 -82.7 133.03 35.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.529 ' O ' ' O ' ' A' ' 102' ' ' ARG . 27.0 t0 -104.51 90.11 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.663 ' H ' ' CD2' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.39 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.6 tp -47.49 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 99' ' ' ASP . 99.1 mtt180 -52.84 156.29 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.534 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -88.87 2.36 53.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -117.28 150.25 39.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.575 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.868 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 64.5 m -95.55 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t70 73.79 54.42 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.827 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.47 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.813 2.342 . . . . 0.0 112.065 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.808 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.9 OUTLIER -160.12 124.55 2.1 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.21 131.0 17.57 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.82 2.347 . . . . 0.0 112.028 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -122.84 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.4 p-10 -75.5 88.43 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.45 ' OG1' ' CE ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -46.89 164.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -76.13 -30.0 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.84 35.67 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.79 -59.92 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.14 3.37 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.527 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.45 ' CE ' ' OG1' ' A' ' 113' ' ' THR . 5.3 mptt -54.04 -41.88 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -39.17 -56.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -62.49 -47.6 83.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.556 ' O ' ' C ' ' A' ' 122' ' ' ASP . 8.4 tmm_? -53.91 -80.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.6 t0 -25.42 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.536 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.7 t -51.12 -48.56 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.445 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 63.6 t0 -40.36 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 80.1 p -48.01 -46.15 32.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.478 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.49 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.79 -12.18 60.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.531 ' NH2' ' HE ' ' A' ' 91' ' ' ARG . 38.6 ttm180 -66.44 -32.74 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.646 ' HA ' ' HG2' ' A' ' 133' ' ' LYS . . . -81.67 -39.28 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.453 ' HB2' ' CG2' ' A' ' 229' ' ' ILE . 57.0 t80 -54.73 -38.81 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 134' ' ' ASP . 6.6 p -74.77 -40.52 46.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.496 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.646 ' HG2' ' HA ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -76.08 25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 72.0 m-20 -147.52 7.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 92.7 m-70 -151.02 -21.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.544 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 6.2 m-85 -114.66 106.48 52.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.62 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.769 2.313 . . . . 0.0 112.033 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.566 ' HB2' HD11 ' A' ' 75' ' ' LEU . 96.3 m-85 -135.03 158.18 45.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.575 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.8 p -129.53 162.34 28.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 51.6 m -161.44 97.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.4 t -75.71 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.596 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 46.7 m-85 -120.23 124.35 45.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.72 84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.425 ' C ' ' CD1' ' A' ' 117' ' ' LEU . 43.2 pttt -123.79 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.543 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.6 t -107.61 115.4 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 148' ' ' ILE . 1.2 tp -91.14 104.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 46.65 54.18 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.17 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -53.79 129.78 34.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.717 ' HB2' HG13 ' A' ' 181' ' ' ILE . 4.2 mt-30 -85.76 150.48 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.375 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.721 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.4 t -155.24 146.16 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.716 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.52 110.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 81.5 mt -98.06 117.08 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 115.98 27.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.276 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 32.2 m -106.11 135.43 47.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.244 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.59 ' OE2' ' O ' ' A' ' 173' ' ' TRP . 10.1 tp10 -131.3 151.9 51.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 0.0 111.017 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.732 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.93 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.247 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 26.4 p80 -140.62 170.63 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.944 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.7 mm-40 -148.67 77.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -65.43 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.976 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.651 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 5.7 tp-100 -167.98 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' PRO . . . . . 0.686 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.0 Cg_exo -60.7 -52.07 4.19 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.817 2.344 . . . . 0.0 112.137 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -43.93 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 165' ' ' PRO . 13.1 m120 -121.94 -10.42 8.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.815 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.06 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.815 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.4 p-90 158.74 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.702 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.09 29.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.568 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 42.8 ttm180 -165.69 136.64 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.337 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' TRP . . . . . 0.732 ' N ' ' O ' ' A' ' 160' ' ' SER . 10.9 t-105 -107.55 138.96 42.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.582 HH21 ' NE2' ' A' ' 61' ' ' GLN . 94.8 mtt180 -125.39 152.25 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.225 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.455 ' HG ' ' HE1' ' A' ' 173' ' ' TRP . 0.7 OUTLIER -166.3 111.11 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 111.037 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 78.7 tt0 -116.44 124.65 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.106 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.616 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 47.5 m95 -120.56 116.91 26.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -98.6 119.83 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.721 ' O ' ' HA ' ' A' ' 153' ' ' THR . 1.8 t80 -117.49 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.681 ' O ' ' O ' ' A' ' 179' ' ' PHE . 3.0 m -50.04 -131.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' ILE . . . . . 0.844 ' O ' HG23 ' A' ' 182' ' ' THR . 0.3 OUTLIER -164.26 151.38 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.932 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 1.037 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 85.0 Cg_exo -34.32 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.463 2.776 . . . . 0.0 112.696 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . 0.932 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.4 Cg_endo -79.84 -4.35 13.34 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.828 2.352 . . . . 0.0 112.118 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' THR . . . . . 1.029 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.35 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.172 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.85 131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.918 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 1.044 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 77.7 mt-30 -106.78 -115.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.243 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.767 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.4 t 145.68 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.674 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.87 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.376 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.6 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.7 p -165.74 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.549 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' LEU . . . . . 0.915 ' N ' HD22 ' A' ' 192' ' ' LEU . 2.1 mm? -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' LYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 12.4 mttp -150.37 147.78 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.759 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . 0.516 ' CG2' ' HB3' ' A' ' 208' ' ' SER . 1.9 tp -149.41 134.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.252 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -142.35 130.32 21.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.947 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 46.8 t -132.67 136.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.131 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . 0.768 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 7.9 t60 -126.51 141.64 51.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.3 t80 -145.61 87.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.584 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.09 87.77 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' GLU . . . . . 0.792 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.6 tt0 -129.49 52.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.287 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' ASP . . . . . 0.792 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 86.4 m-20 114.85 2.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.64 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' B' ' 314' ' ' ARG . 15.6 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.649 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.05 129.18 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.543 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' GLN . . . . . 0.701 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 33.2 mt-30 -136.75 154.13 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.7 tt -122.28 87.24 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 88.2 t -90.05 122.22 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.374 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' SER . . . . . 0.847 ' OG ' ' HA ' ' B' ' 487' ' ' MET . 0.1 OUTLIER -149.57 147.21 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.819 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' HIS . . . . . 0.477 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 31.1 p80 -157.83 145.11 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 55.1 tttp -135.5 129.12 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.2 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.229 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.14 154.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 213' ' ' GLN . 1.1 pm0 -150.22 102.56 3.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' ASP . . . . . 0.606 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 96.5 m-20 -118.82 166.08 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 1.044 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 28.7 p -117.79 103.43 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' VAL . . . . . 1.172 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 78.7 t -91.96 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' GLN . . . . . 1.029 ' HA ' ' O ' ' A' ' 185' ' ' THR . 76.7 mt-30 -102.65 128.05 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.568 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' VAL . . . . . 1.072 HG23 ' HB2' ' A' ' 186' ' ' ALA . 70.6 t -85.97 137.48 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.664 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.9 t -131.02 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 1.9 t -100.29 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' ASP . . . . . 0.467 ' O ' HG22 ' A' ' 224' ' ' THR . 66.8 t0 -86.82 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.03 -24.81 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -73.92 -56.74 4.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.573 ' OG1' ' CZ ' ' A' ' 228' ' ' PHE . 14.8 t -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.56 -57.12 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.1 -30.53 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 231' ' ' ILE . 70.8 tt0 -67.62 -38.72 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.43 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.573 ' CZ ' ' OG1' ' A' ' 224' ' ' THR . 22.5 m-85 -67.77 -53.91 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.389 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.9 mm -52.17 -27.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.395 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.8 -36.77 62.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 231' ' ' ILE . . . . . 0.46 HD13 ' O ' ' A' ' 227' ' ' GLU . 1.3 mp -67.49 -41.19 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 232' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 177' ' ' TRP . 49.5 mt -70.15 -44.41 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.14 -47.0 82.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -69.58 -43.93 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.471 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.91 61.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.15 -44.17 95.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 237' ' ' ASN . . . . . 0.626 HD21 HD12 ' B' ' 546' ' ' ILE . 0.8 OUTLIER -60.03 -40.19 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.8 -34.34 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 239' ' ' TYR . . . . . 0.522 ' CE2' HD11 ' A' ' 243' ' ' ILE . 49.1 t80 -68.48 -44.38 74.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -68.17 -39.02 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 84.2 m -61.41 -45.79 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.68 71.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 243' ' ' ILE . . . . . 0.522 HD11 ' CE2' ' A' ' 239' ' ' TYR . 53.6 mt -69.16 -47.48 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.73 -34.18 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . 0.482 ' OE2' ' CE1' ' C' ' 677' ' ' TYR . 85.0 tt0 -66.89 -42.95 84.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.15 -34.57 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 247' ' ' TYR . . . . . 0.506 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.95 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -73.25 -50.85 20.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 249' ' ' THR . . . . . 0.554 ' O ' ' HB ' ' A' ' 253' ' ' THR . 15.3 m -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 33.9 mtt -72.94 -14.45 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.5 p -113.01 -10.08 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 66.4 t0 -132.12 47.75 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.563 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.1 m 175.69 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 254' ' ' THR . . . . . 0.554 ' N ' HG22 ' A' ' 253' ' ' THR . 9.0 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 255' ' ' PHE . . . . . 0.561 ' CE2' ' CZ ' ' B' ' 525' ' ' ARG . 48.0 t80 -47.62 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . 0.407 ' HA ' HH22 ' B' ' 525' ' ' ARG . 68.0 mttm -64.18 -11.82 34.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.23 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 259' ' ' ARG . . . . . 0.742 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.4 ttt180 -98.59 174.51 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.47 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 260' ' ' ARG . . . . . 0.742 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 31.8 mtp180 -109.24 153.18 24.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 261' ' ' GLN . . . . . 0.663 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 97.8 mt-30 -83.67 -11.27 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 5.7 mt -163.62 133.29 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 263' ' ' PRO . . . . . 0.719 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 78.8 Cg_exo -43.91 135.43 7.71 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.927 2.418 . . . . 0.0 112.063 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 264' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 265' ' ' THR . 3.7 m -37.85 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 265' ' ' THR . . . . . 0.479 ' O ' HG22 ' A' ' 267' ' ' THR . 72.1 p -64.24 -5.36 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 38.0 ttm180 54.16 55.54 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.8 t 173.28 114.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 64.1 mttp -16.87 131.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 269' ' ' ILE . . . . . 0.513 HD11 HG12 ' A' ' 274' ' ' ILE . 10.9 tt -50.32 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 96.8 m-20 -117.11 58.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 271' ' ' TRP . . . . . 0.604 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.6 m95 -21.41 -55.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 270' ' ' ASP . 24.3 t-20 -44.58 -25.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . 1.236 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 70.0 mmtt -99.96 -7.69 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.586 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 274' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 274' ' ' ILE . 1.7 mp -103.21 -1.17 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 73.4 mt -111.14 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 276' ' ' SER . . . . . 1.295 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.9 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 1.236 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.8 t80 -31.07 43.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.621 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 278' ' ' LYS . . . . . 1.295 ' N ' ' O ' ' A' ' 276' ' ' SER . 27.8 mmtp -107.64 80.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.592 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.6 mp 54.21 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.66 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.547 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 302' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 22.7 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -42.73 -51.27 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.31 -34.15 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 305' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.7 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.478 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.19 -40.65 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.82 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 308' ' ' CYS . . . . . 0.42 ' SG ' ' CD1' ' A' ' 38' ' ' LEU . 84.4 m -68.09 -37.2 80.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.355 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.16 -42.12 96.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.35 -38.41 84.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -68.28 -33.65 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.379 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.84 -43.71 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.361 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 95.4 mmm -64.37 -25.67 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 314' ' ' ARG . . . . . 0.525 ' O ' ' ND2' ' A' ' 203' ' ' ASN . 5.3 mpt_? -82.23 -12.37 58.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 315' ' ' ARG . . . . . 0.651 HH11 ' HG2' ' B' ' 315' ' ' ARG . 0.0 OUTLIER -100.08 -46.91 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 147.73 95.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.59 128.41 20.86 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.818 2.345 . . . . 0.0 112.029 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 318' ' ' PRO . . . . . 0.438 ' HA ' HG13 ' B' ' 321' ' ' ILE . 41.8 Cg_endo -71.5 -4.02 14.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.846 2.364 . . . . 0.0 112.047 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . 0.434 HE22 ' HB2' ' B' ' 488' ' ' ASN . 81.8 mt-30 -80.58 -17.82 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.92 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 321' ' ' ILE . . . . . 0.438 HG13 ' HA ' ' B' ' 318' ' ' PRO . 85.2 mt -63.39 -40.9 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -59.73 -60.8 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -54.65 -54.36 42.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.515 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.67 -55.81 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.45 HD12 HG11 ' B' ' 343' ' ' VAL . 3.9 tt -47.14 -48.93 23.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.436 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.6 t -57.04 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.3 -40.76 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.508 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 60.0 tp -55.51 -41.01 72.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.48 -41.17 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.397 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -57.82 -37.99 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.397 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 331' ' ' LEU . 16.7 mt -71.23 -29.06 64.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.467 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.1 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.709 2.273 . . . . 0.0 112.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.29 -6.51 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.6 mt -119.0 20.87 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.11 -55.89 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.26 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -58.73 -36.12 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . 0.481 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.8 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' LEU . . . . . 0.642 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 45.4 mt -81.5 12.39 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.0 p -144.06 -3.78 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.5 m -119.32 -15.5 9.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' VAL . . . . . 0.45 HG11 HD12 ' B' ' 325' ' ' LEU . 96.7 t -105.86 120.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -87.87 128.61 35.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.26 165.95 28.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.43 125.25 5.84 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.873 2.382 . . . . 0.0 112.104 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' LEU . . . . . 0.471 HD21 HD11 ' B' ' 451' ' ' ILE . 93.4 mt -66.72 122.51 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.663 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' LYS . . . . . 0.506 ' O ' HD12 ' B' ' 361' ' ' LEU . 14.1 mptt -88.65 148.83 23.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.397 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.8 tt -102.96 136.39 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.744 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' ALA . . . . . 0.719 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.63 157.66 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -114.31 143.31 45.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 63.8 t0 -111.91 81.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.415 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.6 mttt -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.49 -52.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 6.4 t -92.97 -25.42 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.15 24.68 70.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 352' ' ' ASP . 41.4 mmtm -115.1 154.86 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.6 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 358' ' ' ASP . . . . . 0.719 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.1 m-20 -94.77 143.09 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.692 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 44.4 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.19 156.64 38.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.677 ' N ' HD12 ' B' ' 361' ' ' LEU . 4.8 mp -108.53 158.58 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 362' ' ' CYS . . . . . 0.641 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 25.3 p -168.26 168.65 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 363' ' ' ASP . . . . . 0.642 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.49 -10.3 59.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 364' ' ' TYR . . . . . 0.463 ' HB2' HG11 ' B' ' 431' ' ' VAL . 98.1 m-85 -88.34 -18.22 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 365' ' ' ASN . . . . . 0.641 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 41.9 p-10 -123.23 24.75 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 366' ' ' ARG . . . . . 0.445 ' CZ ' ' OH ' ' B' ' 371' ' ' TYR . 58.5 ttt180 -119.96 129.85 54.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -122.19 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.05 -98.74 1.74 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.33 8.77 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 370' ' ' SER . . . . . 1.009 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 3.6 m -122.4 161.35 23.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 371' ' ' TYR . . . . . 1.104 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.4 m-85 -118.29 150.75 38.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.573 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . 0.764 ' NH1' ' O ' ' B' ' 387' ' ' ALA . 2.1 ttm-85 -98.72 124.74 43.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.645 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 373' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 78.8 p -79.62 133.76 58.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.778 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.89 -14.77 19.15 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.869 2.379 . . . . 0.0 112.21 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -85.87 -66.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.1 p -83.17 -18.6 38.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 377' ' ' ASN . . . . . 0.593 ' HA ' ' O ' ' B' ' 373' ' ' SER . 22.9 t30 70.3 40.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -141.53 137.84 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 379' ' ' TYR . . . . . 1.104 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.69 140.43 58.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 380' ' ' ASP . . . . . 0.755 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.98 -60.41 6.19 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.387 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 381' ' ' PRO . . . . . 1.009 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 31.4 Cg_exo -65.42 120.0 7.13 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.962 2.442 . . . . 0.0 112.323 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -41.5 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.014 2.476 . . . . 0.0 112.276 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.56 177.59 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.516 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -111.66 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -117.0 66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.535 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 386' ' ' GLY . . . . . 0.817 ' HA3' ' CZ ' ' B' ' 379' ' ' TYR . . . -72.23 151.72 47.34 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 387' ' ' ALA . . . . . 0.764 ' O ' ' NH1' ' B' ' 372' ' ' ARG . . . -63.96 127.23 30.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -132.29 148.52 70.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.92 150.77 49.73 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.765 2.31 . . . . 0.0 112.152 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.75 142.92 17.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.83 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -67.79 -37.9 82.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.84 -42.44 70.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.536 ' NE ' ' ND2' ' B' ' 377' ' ' ASN . 42.6 ttm180 -55.33 -36.77 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.395 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -63.55 -46.56 85.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.353 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.39 -31.96 73.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 397' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 401' ' ' ASN . 81.1 tt0 -67.86 -38.05 82.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.05 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.7 -37.05 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.311 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.95 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 401' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 57.4 m-80 -63.94 -39.01 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.363 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.12 -40.42 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.384 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.375 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.3 -29.2 67.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.66 -38.82 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -77.02 -32.98 57.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 407' ' ' TYR . . . . . 0.537 ' OH ' ' NH2' ' A' ' 259' ' ' ARG . 24.6 t80 -69.76 -18.56 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 408' ' ' ARG . . . . . 0.586 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.7 ttp180 -83.89 -35.44 24.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.532 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -85.24 -8.99 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 410' ' ' LEU . . . . . 0.676 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 51.5 mt -95.77 -17.93 20.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 411' ' ' TYR . . . . . 0.719 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.87 -38.04 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 3.0 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 413' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 95.0 mt-10 63.54 24.33 13.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.7 -154.5 25.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 415' ' ' GLY . . . . . 0.586 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.44 -163.49 52.9 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 416' ' ' VAL . . . . . 0.53 ' HA ' HH11 ' B' ' 408' ' ' ARG . 16.7 t -128.69 153.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 33.7 p -143.6 148.5 35.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 9.4 p -148.17 143.98 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 66.4 t -132.83 130.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.719 ' C ' HD12 ' B' ' 421' ' ' LEU . 63.7 m-85 -128.44 132.5 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.719 HD12 ' C ' ' B' ' 420' ' ' TYR . 11.2 mp -119.69 158.44 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -154.51 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -43.04 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.677 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 424' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.3 mt -127.89 -147.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 425' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 425' ' ' ASP . 26.1 p-10 -87.29 -49.85 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 426' ' ' HIS . . . . . 0.428 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 80.4 m80 -129.79 30.79 4.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.64 -135.72 2.58 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.68 154.08 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 429' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' B' ' 424' ' ' LEU . . . -124.01 172.84 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 430' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.69 35.03 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 431' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.07 126.35 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 110.558 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.32 113.69 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 450' ' ' SER . 50.6 mt -102.9 143.22 32.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 434' ' ' ILE . . . . . 0.461 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.74 119.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -122.64 127.49 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 436' ' ' LYS . . . . . 0.561 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.09 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.93 138.13 40.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 439' ' ' ASP . . . . . 0.654 ' CG ' ' HZ1' ' C' ' 611' ' ' LYS . 94.5 m-20 -50.67 128.06 19.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.524 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.73 76.1 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.7 p -110.33 -4.25 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.657 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' C' ' 677' ' ' TYR . 41.7 tptt -89.2 153.86 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 443' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' B' ' 442' ' ' LYS . 53.7 mtmt -56.88 -43.82 81.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 444' ' ' ILE . . . . . 0.46 ' H ' ' HG3' ' B' ' 442' ' ' LYS . 54.0 mt -95.13 135.97 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -105.81 154.71 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.42 24.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.45 130.6 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 448' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.6 t-105 -114.78 116.25 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 449' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 4.8 m-20 -109.46 127.16 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.289 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 450' ' ' SER . . . . . 0.523 ' OG ' ' NE2' ' B' ' 452' ' ' HIS . 1.8 t -115.93 122.83 46.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 451' ' ' ILE . . . . . 0.471 HD11 HD21 ' B' ' 347' ' ' LEU . 41.6 mt -127.97 100.75 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.222 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 452' ' ' HIS . . . . . 0.523 ' NE2' ' OG ' ' B' ' 450' ' ' SER . 15.3 m-70 -108.64 132.44 53.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.72 95.66 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.216 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.73 153.61 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -131.81 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 16.2 t -79.11 139.62 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -123.49 68.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 458' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 98.0 mt-10 -40.35 146.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.63 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 459' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' B' ' 464' ' ' THR . 64.4 tttm -109.38 141.95 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.88 -54.21 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.7 146.55 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 462' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 59.18 -0.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.73 0.3 . . . . 0.0 110.563 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 464' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 462' ' ' GLY . 4.0 t -82.3 123.63 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.86 33.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -92.93 126.56 38.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.15 139.43 38.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -135.82 86.16 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 470' ' ' THR . . . . . . . . . . . . . 16.3 m -157.84 62.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.029 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.7 p -64.72 174.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 472' ' ' THR . . . . . 0.448 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.79 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 473' ' ' VAL . . . . . 0.467 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 91.9 t -69.72 143.86 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.058 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 474' ' ' MET . . . . . 0.459 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 18.4 ttm -124.85 95.99 4.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.133 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 475' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.8 tp -86.68 131.18 34.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 476' ' ' TRP . . . . . 0.442 ' CD1' ' C ' ' B' ' 476' ' ' TRP . 3.6 t-105 -125.26 130.29 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -137.35 124.69 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.742 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 478' ' ' GLN . . . . . 0.489 ' CG ' ' ND2' ' B' ' 488' ' ' ASN . 15.6 tm0? -138.22 158.15 44.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.434 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 479' ' ' THR . . . . . 0.521 ' CG2' ' HB3' ' B' ' 487' ' ' MET . 4.1 t -163.42 127.5 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 480' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.8 m-20 -108.22 73.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 88.4 tttt -107.58 146.68 31.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 482' ' ' THR . . . . . 0.525 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.6 m -57.27 -46.03 83.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.57 -25.31 68.68 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.1 p -125.9 14.87 8.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.632 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 486' ' ' THR . . . . . 0.477 ' HG1' ' CE1' ' A' ' 209' ' ' HIS . 69.1 p -126.04 114.0 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.513 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 487' ' ' MET . . . . . 0.847 ' HA ' ' OG ' ' A' ' 208' ' ' SER . 11.7 ttt -125.11 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 488' ' ' ASN . . . . . 0.489 ' ND2' ' CG ' ' B' ' 478' ' ' GLN . 33.6 m120 -119.0 124.02 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.608 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 489' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.4 tp -131.69 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.41 -163.82 21.79 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 491' ' ' GLY . . . . . 0.628 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.87 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 492' ' ' SER . . . . . 0.628 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.0 p 163.25 135.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 493' ' ' LEU . . . . . 0.55 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.48 149.44 30.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 494' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' B' ' 495' ' ' ARG . 5.3 p -127.09 142.87 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.504 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 495' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 494' ' ' THR . 15.0 mmt180 -149.95 128.73 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.666 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.88 160.53 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 16.3 tpp -160.03 130.49 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 498' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.9 pm0 -133.53 141.55 47.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -172.2 145.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 500' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.9 p-10 -91.2 125.21 35.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -120.72 160.17 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 67.6 p -94.27 131.9 39.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.64 122.38 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 86.7 p -143.01 -177.26 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.94 77.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.58 -19.87 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 22.0 t -135.45 73.47 62.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 508' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 7.9 Cg_exo -72.54 -172.62 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.851 2.368 . . . . 0.0 112.182 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -58.69 -62.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.9 mt -42.79 -49.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 511' ' ' ALA . . . . . 0.464 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -55.0 -49.25 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.626 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 512' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' B' ' 508' ' ' PRO . 77.4 m-20 -62.97 -48.18 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.05 -33.64 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.63 73.76 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.29 -44.33 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.691 0.282 . . . . 0.0 110.731 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.26 -52.45 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.53 -47.15 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -57.91 -51.72 68.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 519' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.7 t0 -63.55 -37.48 87.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 5.3 tpt -64.37 -49.44 71.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 521' ' ' GLU . . . . . 0.402 ' OE1' ' CG2' ' B' ' 473' ' ' VAL . 2.9 tp10 -62.57 -45.35 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.688 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -56.81 -41.54 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -70.59 -38.42 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 524' ' ' ILE . . . . . 0.426 ' HA ' HD13 ' B' ' 524' ' ' ILE . 27.6 mm -74.48 -24.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 525' ' ' ARG . . . . . 0.561 ' CZ ' ' CE2' ' A' ' 255' ' ' PHE . 1.5 tmt_? -68.71 -27.68 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.3 t -85.01 -38.76 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 71.0 p -66.04 -35.79 81.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 528' ' ' LEU . . . . . 0.709 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 44.6 mt -64.99 -42.37 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.54 -31.29 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 530' ' ' GLU . . . . . 0.967 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.2 mt-10 -74.4 -54.43 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -61.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.562 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 532' ' ' TYR . . . . . 0.709 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 15.9 m-85 -50.27 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 533' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.77 40.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.585 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . 0.967 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 535' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' B' ' 536' ' ' THR . 31.0 mmtp -56.91 -68.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.557 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.661 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 51.2 p -34.79 -57.98 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.4 -53.28 30.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.17 -44.94 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 539' ' ' ILE . . . . . 0.662 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 34.3 mm -61.74 -36.04 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.46 -41.97 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -69.82 -17.08 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.33 47.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.462 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.13 -51.44 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 544' ' ' ARG . . . . . 0.818 ' HG2' ' H ' ' B' ' 545' ' ' SER . 3.5 tmt_? -141.8 170.12 16.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 545' ' ' SER . . . . . 0.818 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.6 t -142.16 137.86 31.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 546' ' ' ILE . . . . . 0.626 HD12 HD21 ' A' ' 237' ' ' ASN . 10.7 tt -69.1 -43.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 547' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 548' ' ' ALA . 67.2 t0 -82.9 138.6 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.614 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.12 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' B' ' 551' ' ' ASP . 82.4 mt -79.54 112.75 31.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.2 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.92 2.413 . . . . 0.0 112.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.1 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 552' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' B' ' 550' ' ' PRO . 15.5 m120 -129.9 116.19 18.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.524 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -85.3 -24.79 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 558' ' ' LEU . 64.4 tttm -52.56 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -45.13 -56.69 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 556' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' B' ' 556' ' ' LYS . 4.1 mptp? -57.53 -46.95 83.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.762 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.81 -29.72 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.786 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.3 tp -77.76 -30.37 51.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.54 -36.38 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -58.2 -40.51 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.777 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 561' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 565' ' ' VAL . 72.6 mm-40 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.699 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 50.0 tp -49.1 -40.69 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.6 m -61.21 -76.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.736 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -36.72 -13.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 22.3 t -72.11 -42.71 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.0 tp -81.45 -35.57 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.612 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.22 -19.65 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -117.51 6.63 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.94 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 570' ' ' GLN . . . . . 0.858 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.5 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 571' ' ' ILE . . . . . 0.858 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 3.5 mm . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 601' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.1 5.98 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 603' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' C' ' 607' ' ' MET . 10.8 p-10 -49.85 -37.78 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 604' ' ' LYS . . . . . 0.451 ' H ' ' HG3' ' C' ' 604' ' ' LYS . 59.0 mttt -69.71 -52.2 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.09 -28.93 56.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -75.64 -53.66 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 607' ' ' MET . . . . . 0.533 ' HG2' HD11 ' C' ' 632' ' ' LEU . 44.1 mtm -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -56.76 -16.02 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 609' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.42 -50.69 13.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.639 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.2 1.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 611' ' ' LYS . . . . . 0.654 ' HZ1' ' CG ' ' B' ' 439' ' ' ASP . 54.0 tttp -102.07 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.4 -4.22 21.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 613' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.83 58.53 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 9.6 t0 -63.89 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 615' ' ' LEU . . . . . 0.933 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.7 tm? -44.93 -17.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.71 -27.54 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.536 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 617' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.5 tp10 -81.54 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 618' ' ' VAL . . . . . 0.513 ' CG1' HD22 ' C' ' 615' ' ' LEU . 8.4 p -62.82 -28.37 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 619' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 87.9 tttt -66.23 -21.86 66.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 620' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 31.1 t70 -75.4 -45.48 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -60.91 -59.2 5.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.575 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.69 -27.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 623' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.67 -16.8 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.81 -76.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 625' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.88 82.31 0.1 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 626' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.6 pt-20 34.31 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 627' ' ' ASP . . . . . 0.537 ' O ' ' NE ' ' C' ' 630' ' ' ARG . 40.0 m-20 -141.0 62.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 628' ' ' VAL . . . . . 0.788 ' O ' HG23 ' C' ' 628' ' ' VAL . 19.9 m -121.97 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 629' ' ' ASN . . . . . 0.504 ' H ' ' HD2' ' C' ' 630' ' ' ARG . 65.0 t30 -173.06 5.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 630' ' ' ARG . . . . . 0.694 ' H ' ' CD ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.04 166.82 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 631' ' ' THR . . . . . 0.505 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.07 87.64 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 632' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' C' ' 607' ' ' MET . 16.3 tp -31.28 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.429 ' H ' ' HB3' ' C' ' 632' ' ' LEU . 84.5 tt0 -71.67 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.36 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 635' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.72 0.18 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.9 164.92 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.548 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 637' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.5 mptm? -108.42 156.97 37.69 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.821 2.348 . . . . 0.0 112.138 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 639' ' ' LEU . . . . . 0.487 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.7 -16.32 10.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.502 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.18 -43.86 49.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -71.71 -35.96 70.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.96 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 4.5 t70 -60.63 -35.65 76.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 645' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.2 t -160.92 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.04 34.08 4.47 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 647' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 13.9 mm100 51.75 4.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.525 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 648' ' ' LEU . . . . . 0.916 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 6.99 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.78 -12.58 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.53 -36.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.629 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 1.098 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 652' ' ' GLU . . . . . 0.824 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 85.2 tt0 -56.22 -22.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.528 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 653' ' ' PHE . . . . . 0.973 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.89 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 654' ' ' LEU . . . . . 1.025 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.34 6.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.637 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 655' ' ' LEU . . . . . 0.973 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.93 -47.86 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.27 -25.41 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.523 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.78 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 658' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.3 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 659' ' ' ALA . . . . . 0.71 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.04 33.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 660' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.0 m-20 -57.42 10.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 661' ' ' ILE . . . . . 0.71 ' H ' ' C ' ' C' ' 659' ' ' ALA . 8.4 tp -66.01 1.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 662' ' ' ASN . . . . . 1.086 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.61 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 663' ' ' ALA . . . . . 0.771 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.09 -33.67 0.28 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 664' ' ' PRO . . . . . 1.086 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.9 Cg_exo -46.93 120.8 4.43 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.868 2.378 . . . . 0.0 112.095 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -125.9 -50.49 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -78.78 -16.15 57.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 667' ' ' HIS . . . . . 0.462 ' N ' ' ND1' ' C' ' 667' ' ' HIS . 3.7 m80 -80.51 -6.23 57.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.586 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 40.44 37.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 670' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.0 OUTLIER -96.24 168.68 10.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 671' ' ' PRO . . . . . 0.473 ' O ' ' OG ' ' C' ' 674' ' ' SER . 51.3 Cg_endo -72.48 -30.48 12.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.785 2.323 . . . . 0.0 112.144 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.38 -49.04 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 673' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.4 tp -67.9 -27.77 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 674' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.2 p -51.81 -40.9 61.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 675' ' ' ALA . . . . . 0.417 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.59 -29.96 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 676' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 8.8 t -47.17 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 677' ' ' TYR . . . . . 0.516 ' O ' ' NZ ' ' B' ' 442' ' ' LYS . 25.3 t80 -77.9 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 678' ' ' GLU . . . . . 0.465 ' OE1' ' NZ ' ' B' ' 442' ' ' LYS . 34.2 tp10 -124.5 -28.66 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.44 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.0 m80 -71.97 -53.54 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 681' ' ' VAL . . . . . 0.778 ' O ' HG22 ' C' ' 684' ' ' VAL . 6.7 m 43.31 -5.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.2 m -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.93 -48.72 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 684' ' ' VAL . . . . . 0.778 HG22 ' O ' ' C' ' 681' ' ' VAL . 4.2 m -41.86 -34.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 685' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' C' ' 687' ' ' LEU . 37.9 ttmt -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.91 1.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 687' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 688' ' ' LEU . . . . . 0.475 HD12 ' O ' ' C' ' 693' ' ' ASP . 7.0 tt -45.73 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 689' ' ' SER . . . . . 0.408 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.2 m -55.8 -21.56 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.539 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -99.65 -6.24 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 692' ' ' ALA . . . . . 0.585 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 90.2 m-20 33.17 -128.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.597 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 694' ' ' LYS . . . . . 0.453 ' O ' HG23 ' C' ' 695' ' ' THR . 34.1 ttpt -152.5 -23.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 695' ' ' THR . . . . . 0.53 ' CG2' ' OG1' ' C' ' 703' ' ' THR . 0.7 OUTLIER -156.61 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.69 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -140.13 23.54 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.8 20.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 699' ' ' PRO . . . . . 0.659 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 77.6 Cg_exo -44.82 -27.77 2.61 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.789 2.326 . . . . 0.0 112.15 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 700' ' ' ASP . . . . . 0.659 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 4.4 m-20 157.79 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 701' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' C' ' 705' ' ' LEU . . . -84.82 0.31 89.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 702' ' ' LEU . . . . . 0.629 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.8 -66.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 703' ' ' THR . . . . . 0.886 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 89.6 m 16.17 -95.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 704' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 705' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' C' ' 701' ' ' GLY . 2.5 tt -62.86 -75.52 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.614 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.68 15.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 707' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 708' ' ' THR . . . . . 0.541 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.1 m -139.82 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 709' ' ' ASP . . . . . 0.541 ' H ' HG22 ' C' ' 708' ' ' THR . 53.8 p-10 -148.76 -4.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -72.55 151.84 42.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.55 -20.54 62.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.16 -60.37 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 713' ' ' ILE . . . . . 0.407 HG21 HD12 ' C' ' 713' ' ' ILE . 0.0 OUTLIER -70.06 -37.64 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.579 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.09 -29.9 23.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 715' ' ' ALA . . . . . 0.567 ' O ' ' HG ' ' C' ' 716' ' ' LEU . . . -28.23 14.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 716' ' ' LEU . . . . . 0.792 ' O ' ' CB ' ' C' ' 717' ' ' LEU . 2.0 mp -161.07 98.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 717' ' ' LEU . . . . . 0.792 ' CB ' ' O ' ' C' ' 716' ' ' LEU . 1.1 tt 124.14 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 718' ' ' GLN . . . . . 0.745 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 36.4 tt0 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.596 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 8' ' ' VAL . 12.0 p -54.1 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.739 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.4 t -45.83 162.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.654 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 43.3 p-10 -64.9 -33.63 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 96.6 mt-10 -60.47 -39.32 87.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.55 -41.03 84.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.7 t -65.26 -43.76 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -61.53 -39.72 92.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.461 HD12 ' CG ' ' B' ' 327' ' ' ASP . 31.4 mm -65.44 -47.37 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.89 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 97.0 mttt -65.88 -41.34 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -65.16 -44.81 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.66 -46.51 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -76.03 8.47 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.78 15.4 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.492 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.52 146.96 81.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 12.3 Cg_exo -68.21 167.56 21.68 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.352 . . . . 0.0 112.036 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.02 116.24 4.61 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.751 2.301 . . . . 0.0 112.101 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.45 35.5 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -149.31 37.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 110.516 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 52.6 p90 -73.95 -48.78 28.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 66.5 t30 -57.03 -57.38 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.618 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -44.53 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.6 t -60.82 -42.52 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.631 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 79.5 t80 -59.2 -50.85 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -59.99 -37.98 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.667 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.03 -42.08 97.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 32' ' ' VAL . 82.7 t -67.05 -41.9 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -56.31 -54.85 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.405 HD13 ' SG ' ' B' ' 308' ' ' CYS . 35.7 mt -59.3 -34.79 72.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 mt -73.26 -49.71 26.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 63.3 t30 46.65 49.67 13.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 69.9 m-20 -168.68 79.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -51.87 -37.94 54.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -54.16 -44.18 71.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.29 -30.82 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.631 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 35.2 tp -62.76 -38.68 91.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -66.25 -35.5 80.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -41.02 -59.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.87 48.63 0.92 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.13 -56.82 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.56 87.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -54.31 -37.02 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.33 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 32.6 m-85 -46.59 -56.57 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.66 -72.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 87.0 mt-30 -33.65 -45.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.03 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -47.0 -30.88 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 76.4 mtp -68.89 -66.54 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 174' ' ' ARG . 98.0 m-20 -67.91 10.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 63' ' ' THR . 15.6 mm100 -124.56 24.79 7.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.6 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 77.8 m-85 23.83 44.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.0 m -58.83 111.34 3.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.7 Cg_exo -75.65 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.874 2.382 . . . . 0.0 112.219 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG22 ' N ' ' A' ' 66' ' ' LYS . 10.3 p -109.41 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.643 ' N ' HG22 ' A' ' 65' ' ' VAL . 34.9 pttt -125.16 103.96 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.665 ' O ' ' C ' ' A' ' 68' ' ' GLU . 48.0 mt -51.52 148.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 67' ' ' ILE . 84.0 tt0 -13.22 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.793 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.9 m-85 -137.47 14.71 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.627 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 4.7 p-10 20.2 39.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 1.074 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.2 t0 -98.78 19.41 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 87.0 mm-40 -0.22 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.074 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.92 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.725 HD12 ' C ' ' A' ' 74' ' ' VAL . 9.9 mp -113.34 152.38 30.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 95.8 mt -104.14 105.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.2 p -130.13 -176.95 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.8 -31.26 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.485 ' CE1' HD13 ' A' ' 155' ' ' ILE . 86.1 m-70 -64.0 -23.64 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.15 15.68 50.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -85.53 100.02 11.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.8 0.333 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp -49.61 -51.55 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.73 25.38 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.79 9.34 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.599 ' NH2' ' O ' ' A' ' 107' ' ' ASP . 29.8 mtp180 -108.35 168.7 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.519 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 53.9 m-85 -114.51 -170.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -118.3 157.38 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.703 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 18.5 t0 -139.33 89.03 12.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.561 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 23.5 Cg_exo -61.01 -36.69 81.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.852 2.368 . . . . 0.0 111.995 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -59.43 -75.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -76.43 -20.4 57.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.703 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 62.0 mttm 62.76 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.527 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 15.4 tt -146.5 154.43 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.567 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.818 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.8 t -92.65 133.02 36.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.708 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 37.7 p90 -140.11 136.61 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.7 tttt -88.62 113.38 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.878 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.6 t80 -82.71 133.11 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 31.1 t0 -104.6 90.16 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.77 ' H ' ' CD2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -36.38 -67.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.593 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 69.4 mt -47.41 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.0 tpp180 -52.75 156.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -88.88 2.35 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -117.27 150.22 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.878 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.5 m -95.53 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.599 ' O ' ' NH2' ' A' ' 86' ' ' ARG . 1.3 m-20 73.75 54.51 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.818 ' CA ' ' O ' ' A' ' 95' ' ' SER . 57.2 Cg_endo -73.5 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.839 2.36 . . . . 0.0 112.069 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.815 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.2 tt0 -160.15 124.57 2.1 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -47.2 131.0 17.55 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.841 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.404 ' OE2' HD11 ' A' ' 88' ' ' LEU . 72.5 tt0 -122.91 102.52 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.0 p-10 -75.5 88.45 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.98 164.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.02 -30.07 58.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 71.94 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.74 -59.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.11 3.34 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' GLN . 37.9 ttpt -53.98 -41.91 68.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER -39.21 -55.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -62.58 -47.59 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.851 HH21 ' H ' ' A' ' 145' ' ' GLY . 22.0 ttm180 -53.89 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.647 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 35.4 t70 -25.44 -45.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.91 -67.25 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 6.3 t -51.1 -48.55 61.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.62 ' CG ' ' HB ' ' A' ' 143' ' ' VAL . 0.9 OUTLIER -40.47 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 27.0 m -48.04 -46.15 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.449 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.28 -51.49 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.82 -12.23 60.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.471 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 126' ' ' SER . 13.5 tpt180 -66.39 -32.78 74.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.555 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 18.5 t80 -54.73 -38.79 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 134' ' ' ASP . 19.2 m -74.75 -40.52 46.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 61.9 mttm -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.57 7.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.544 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.535 ' HB3' ' HE ' ' B' ' 544' ' ' ARG . 38.6 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 44.5 m-85 -114.67 106.45 52.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.55 -57.17 2.34 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.764 2.31 . . . . 0.0 112.072 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -127.55 50.06 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.82 163.64 12.64 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.546 ' CB ' HD11 ' A' ' 75' ' ' LEU . 95.0 m-85 -135.09 158.15 45.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.628 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 2.9 p -129.54 162.25 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.546 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 24.9 m -161.38 97.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.62 ' HB ' ' CG ' ' A' ' 125' ' ' ASP . 49.3 t -75.75 143.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 37.2 m-85 -120.21 124.29 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.542 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.851 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.77 84.53 0.37 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -123.76 167.37 14.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.56 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.0 p -107.55 115.38 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.504 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 148' ' ' ILE . 2.9 tt -91.16 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 46.62 54.22 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.91 -62.84 4.16 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -53.8 129.83 34.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.661 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.735 ' H ' HG21 ' A' ' 181' ' ' ILE . 71.5 mt-30 -85.82 150.52 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.3 t -155.25 146.13 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.513 HD13 HD21 ' A' ' 117' ' ' LEU . 12.9 mm -108.48 110.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.443 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 77.1 mt -98.12 117.08 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 116.07 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 37.5 m -106.16 135.44 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ILE . . . . . 0.651 HD13 ' OG ' ' A' ' 175' ' ' SER . 4.8 mp -122.76 137.71 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.188 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 14.7 tm-20 -131.3 151.96 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.396 . . . . 0.0 111.008 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.94 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 16.6 p-80 -140.71 170.61 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.0 mm-40 -148.62 77.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.237 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -65.35 147.44 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.462 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.2 tm0? -167.96 66.05 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.8 Cg_endo -60.72 -52.13 4.11 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.786 2.324 . . . . 0.0 112.109 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -43.83 -8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.418 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 8.5 m120 -121.89 -10.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.819 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.12 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.819 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.6 p-90 158.77 127.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.0 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.348 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.84 163.14 29.04 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.75 136.64 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' TRP . . . . . 0.733 ' N ' ' O ' ' A' ' 160' ' ' SER . 7.1 t-105 -107.55 138.89 42.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 193' ' ' LYS . 53.3 mtp180 -125.36 152.3 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.21 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.651 ' OG ' HD13 ' A' ' 158' ' ' ILE . 0.0 OUTLIER -166.31 111.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.913 0.387 . . . . 0.0 111.025 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.635 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 85.4 tt0 -116.39 124.69 50.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.124 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 44.9 m95 -120.59 116.94 26.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.913 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -98.58 119.83 37.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.412 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.722 ' O ' ' HA ' ' A' ' 153' ' ' THR . 3.0 t80 -117.46 88.58 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.743 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.678 ' O ' ' O ' ' A' ' 179' ' ' PHE . 2.9 t -50.05 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 182' ' ' THR . 0.0 OUTLIER -164.31 151.33 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.687 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.928 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.76 61.41 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.472 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 1.07 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 83.9 Cg_exo -34.36 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.434 2.756 . . . . 0.0 112.688 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . 0.928 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.8 Cg_endo -79.87 -4.35 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.876 2.384 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' THR . . . . . 1.055 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.6 OUTLIER 159.36 -18.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.24 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.156 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.8 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.942 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 1.063 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.3 mt-30 -106.75 -115.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.223 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.774 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.5 t 145.66 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' ALA . . . . . 0.774 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.37 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.78 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.535 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 192' ' ' LEU . 6.7 mp -85.6 157.86 20.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' LYS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 30.5 mttt -150.32 147.83 28.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . 0.768 HD13 ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -149.49 134.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.306 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.768 ' N ' HD13 ' A' ' 194' ' ' ILE . 89.0 mt-30 -142.37 130.28 21.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.911 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.703 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 2.9 t -132.7 136.61 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.169 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . 0.77 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 8.9 t-80 -126.5 141.56 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.945 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' TYR . . . . . 0.604 ' O ' ' CD2' ' A' ' 198' ' ' TYR . 61.4 t80 -145.54 87.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.286 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.5 t80 -100.1 87.8 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 61.7 tt0 -129.46 52.14 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.32 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' ASP . . . . . 0.799 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 59.5 t0 114.87 2.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.407 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.66 -129.11 1.08 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -172.85 99.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.575 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.05 129.13 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.554 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' GLN . . . . . 0.703 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.6 tt0 -136.73 154.12 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.529 HD22 ' OH ' ' A' ' 247' ' ' TYR . 12.7 tp -122.24 87.22 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' VAL . . . . . 0.453 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 13.5 t -90.06 122.22 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.383 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' SER . . . . . 0.432 ' HB2' HG22 ' A' ' 194' ' ' ILE . 0.7 OUTLIER -149.56 147.19 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.807 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' HIS . . . . . 0.528 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 33.5 p80 -157.82 145.11 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -135.45 129.04 32.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 44.1 p-10 -103.56 129.85 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.19 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.9 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -150.2 102.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' ASP . . . . . 0.619 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.1 t0 -118.88 166.06 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 1.063 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 21.6 p -117.8 103.42 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' VAL . . . . . 1.156 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 88.9 t -91.95 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' GLN . . . . . 1.055 ' HA ' ' O ' ' A' ' 185' ' ' THR . 79.7 mt-30 -102.64 128.06 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' VAL . . . . . 1.07 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 76.6 t -85.98 137.48 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.628 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.5 t -131.04 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 224' ' ' THR . 3.0 t -100.23 -163.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' ASP . . . . . 0.464 ' O ' HG22 ' A' ' 224' ' ' THR . 45.1 t0 -86.85 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.11 -24.67 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -74.01 -56.74 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 221' ' ' ASP . 15.2 t -54.66 -36.88 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' ALA . . . . . 0.466 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.58 -57.11 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.447 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -57.1 -30.47 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.62 -38.76 84.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.481 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 4.9 t80 -67.72 -53.91 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.414 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.3 mm -52.17 -27.35 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.366 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -74.85 -36.74 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 231' ' ' ILE . . . . . 0.5 HG13 HG21 ' A' ' 216' ' ' VAL . 35.9 mm -67.51 -41.19 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.443 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 232' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 177' ' ' TRP . 43.1 mt -70.07 -44.51 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -57.08 -46.97 82.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -69.68 -43.88 71.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.94 61.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 236' ' ' GLU . . . . . 0.565 ' CG ' ' NH1' ' B' ' 544' ' ' ARG . 15.9 tp10 -60.17 -44.1 95.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 237' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.03 -40.24 88.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.74 -34.33 73.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.42 -44.48 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -38.98 82.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 78.0 m -61.48 -45.74 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.69 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.17 -47.59 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.63 -34.22 73.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.9 -42.92 84.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.09 -34.66 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 247' ' ' TYR . . . . . 0.549 ' O ' ' OG ' ' A' ' 251' ' ' SER . 3.4 m-85 -64.91 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . 0.555 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 78.0 mt-30 -73.23 -50.86 20.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 249' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 253' ' ' THR . 81.5 p -64.75 -34.84 79.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 46.3 mtt -72.92 -14.46 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . 0.64 ' OG ' ' HB3' ' B' ' 533' ' ' PHE . 1.1 m -113.0 -10.07 13.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 252' ' ' ASP . . . . . 0.786 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 3.0 p30 -132.1 47.72 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 8.4 m 175.73 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 254' ' ' THR . . . . . 0.514 ' OG1' ' CD1' ' B' ' 444' ' ' ILE . 9.2 m -53.52 -61.17 2.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 255' ' ' PHE . . . . . 0.539 ' CE1' ' OD1' ' B' ' 529' ' ' ASN . 3.4 t80 -47.74 -57.52 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . 0.723 ' NZ ' ' NE ' ' C' ' 636' ' ' ARG . 6.9 ptmm? -64.17 -11.83 34.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.21 -18.2 30.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 259' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.61 174.45 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 260' ' ' ARG . . . . . 0.525 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 0.7 OUTLIER -109.16 153.19 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -83.72 -11.21 57.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.61 133.27 3.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 263' ' ' PRO . . . . . 0.724 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.91 135.4 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.915 2.41 . . . . 0.0 112.056 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 264' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 265' ' ' THR . 4.4 m -37.75 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 265' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 265' ' ' THR . 82.2 m -64.18 -5.42 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 266' ' ' ARG . . . . . 0.681 ' N ' ' O ' ' A' ' 263' ' ' PRO . 20.8 mmm180 54.13 55.59 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 267' ' ' THR . . . . . 0.638 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.7 m 173.27 114.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . 0.638 ' C ' ' O ' ' A' ' 267' ' ' THR . 68.7 mttm -16.71 131.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 269' ' ' ILE . . . . . . . . . . . . . 2.2 pt -50.34 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.805 ' O ' ' N ' ' A' ' 273' ' ' LYS . 1.0 OUTLIER -117.12 58.57 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 271' ' ' TRP . . . . . 0.626 ' CE2' ' HA3' ' B' ' 514' ' ' GLY . 77.5 m95 -21.52 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . 0.728 ' H ' HD22 ' A' ' 272' ' ' ASN . 1.9 m-80 -44.66 -25.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . 1.249 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 2.5 mptm? -100.0 -7.66 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 274' ' ' ILE . . . . . 0.585 ' N ' ' O ' ' A' ' 271' ' ' TRP . 18.4 mm -103.2 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . 0.722 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 276' ' ' SER . . . . . 1.314 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.3 t 141.95 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.578 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 1.249 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.7 t80 -30.92 43.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 278' ' ' LYS . . . . . 1.314 ' N ' ' O ' ' A' ' 276' ' ' SER . 36.2 tptt -107.66 80.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.631 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.8 mt 54.22 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.65 -135.17 0.0 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.523 -179.848 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 302' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 44.1 t . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -42.8 -51.18 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.32 -34.16 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.464 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 305' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 302' ' ' SER . 24.1 mt-30 -60.74 -49.03 79.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.26 -40.63 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.94 -40.84 95.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.353 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 308' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 38' ' ' LEU . 84.4 m -68.07 -37.21 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 309' ' ' ALA . . . . . 0.708 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.22 -42.09 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.397 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.31 -38.45 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.385 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.28 -33.66 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.2 tp -68.83 -43.7 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 313' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' B' ' 313' ' ' MET . 0.0 OUTLIER -64.42 -25.55 68.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.434 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.35 -12.31 58.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 315' ' ' ARG . . . . . 0.541 HH11 ' HG2' ' B' ' 315' ' ' ARG . 66.5 mtt-85 -100.06 -46.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.59 147.7 95.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.65 128.45 21.12 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.768 2.312 . . . . 0.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -71.48 -4.05 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.854 2.369 . . . . 0.0 112.06 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -80.53 -17.8 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -123.94 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 63.4 mt -63.4 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.76 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.534 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -54.66 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -54.69 -55.76 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.468 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.469 HD12 HG11 ' B' ' 343' ' ' VAL . 4.2 tt -47.14 -48.9 23.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.17 -49.68 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.37 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . 0.461 ' CG ' HD12 ' A' ' 16' ' ' ILE . 54.5 m-20 -62.39 -40.73 97.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.426 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' LEU . . . . . 0.708 HD21 ' HB1' ' B' ' 309' ' ' ALA . 55.9 tp -55.56 -40.99 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.498 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.48 -41.23 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.74 -37.96 74.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.24 -29.06 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.441 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.55 84.6 9.05 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.456 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.07 -5.59 15.09 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.752 2.301 . . . . 0.0 112.046 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 63.9 m -89.3 -6.46 56.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.458 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.0 mt -119.03 20.84 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.2 p -64.04 -55.95 18.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.564 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 97.6 mt-10 -60.35 -50.4 73.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.535 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.75 -36.13 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 67.9 mt -79.11 -28.62 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.9 mt -81.44 12.36 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 56.3 p -144.09 -3.67 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.7 t -119.41 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' VAL . . . . . 0.469 HG11 HD12 ' B' ' 325' ' ' LEU . 81.5 t -105.86 120.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -87.86 128.64 35.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.23 165.94 28.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 125.31 5.91 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.817 2.345 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' LEU . . . . . 0.476 HD21 HD11 ' B' ' 451' ' ' ILE . 95.9 mt -66.71 122.5 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -88.65 148.8 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.418 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.9 tt -102.95 136.34 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' ALA . . . . . 0.731 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.34 143.35 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.627 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.968 ' O ' ' N ' ' B' ' 356' ' ' GLY . 62.5 t0 -111.9 81.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.7 mttt -37.21 -63.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 66.3 t -39.49 -52.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.1 t -92.97 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . 0.968 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.71 70.47 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.12 154.89 28.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 358' ' ' ASP . . . . . 0.731 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 91.6 m-20 -94.68 143.08 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 39.3 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.25 156.63 38.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 1.038 HD23 ' H ' ' B' ' 362' ' ' CYS . 0.6 OUTLIER -108.57 158.56 17.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 362' ' ' CYS . . . . . 1.038 ' H ' HD23 ' B' ' 361' ' ' LEU . 29.5 p -168.23 168.62 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.4 p-10 -75.44 -10.29 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.648 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 364' ' ' TYR . . . . . 0.479 ' HB2' HG11 ' B' ' 431' ' ' VAL . 99.3 m-85 -88.38 -18.23 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.463 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 365' ' ' ASN . . . . . 0.765 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 38.3 p-10 -123.16 24.74 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -119.99 129.93 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -122.22 99.53 6.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.08 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.3 8.75 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 370' ' ' SER . . . . . 1.101 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.35 161.36 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 371' ' ' TYR . . . . . 1.101 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.0 OUTLIER -118.32 150.78 38.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . 0.596 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 11.9 ttm180 -98.76 124.75 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 373' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 10.5 t -79.65 133.81 58.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.89 -14.8 19.16 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.88 2.387 . . . . 0.0 112.216 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 375' ' ' TRP . . . . . 0.406 ' HE1' ' HB3' ' B' ' 359' ' ' TYR . 52.4 m95 -85.9 -66.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 77.8 p -83.14 -18.61 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 377' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' B' ' 373' ' ' SER . 53.3 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -141.6 137.9 32.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 379' ' ' TYR . . . . . 1.101 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 32.6 m-85 -65.7 140.42 58.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.622 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 380' ' ' ASP . . . . . 0.75 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.97 -60.4 6.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.396 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 381' ' ' PRO . . . . . 1.101 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.2 Cg_exo -65.43 119.97 7.09 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.54 79.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.98 2.453 . . . . 0.0 112.239 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.54 177.55 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . 0.584 ' H ' HD23 ' B' ' 383' ' ' LEU . 98.5 mt-10 -111.64 -72.16 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -116.99 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.15 151.74 47.49 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 387' ' ' ALA . . . . . 0.505 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.96 127.27 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.628 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.3 ptp -132.31 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.87 150.75 49.96 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.797 2.331 . . . . 0.0 112.18 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.2 m -52.76 142.96 17.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.61 -43.79 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -67.91 -37.81 82.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -55.35 -36.79 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -63.53 -46.59 85.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.33 -32.03 73.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.319 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -67.79 -38.08 82.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.02 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.78 -36.97 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.332 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.92 94.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.411 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 401' ' ' ASN . 55.7 t-20 -63.94 -39.05 93.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.345 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.08 -40.36 68.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.04 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.25 -29.28 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.453 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 405' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 405' ' ' ASP . 65.4 t0 -54.61 -38.86 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -77.06 -32.9 57.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.78 -18.63 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 408' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 9.7 ptt180 -83.79 -35.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 409' ' ' ASP . . . . . 0.481 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 95.6 m-20 -85.14 -8.93 58.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.595 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 410' ' ' LEU . . . . . 0.681 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 52.0 mt -95.84 -17.96 20.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 411' ' ' TYR . . . . . 0.724 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.86 -38.06 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.552 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 68.4 m-85 -100.6 -25.95 13.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 413' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.0 mt-10 63.55 24.32 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.75 -154.46 25.42 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.37 -163.44 52.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 19.5 t -128.71 153.72 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 38.4 t -143.6 148.48 35.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 23.3 m -148.21 143.95 27.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.88 130.24 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.715 ' C ' HD12 ' B' ' 421' ' ' LEU . 60.7 m-85 -128.4 132.42 48.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.715 HD12 ' C ' ' B' ' 420' ' ' TYR . 11.2 mp -119.66 158.43 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.708 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 422' ' ' TRP . . . . . 0.928 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.7 p-90 -154.51 110.55 3.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -43.03 159.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 424' ' ' LEU . . . . . 0.466 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.0 tp -127.85 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 425' ' ' ASP . . . . . 0.466 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 68.0 t0 -87.32 -49.84 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -129.8 30.71 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.65 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 429' ' ' ALA . . . . . 0.928 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -124.01 172.87 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 430' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.15 161.67 35.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.08 126.41 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.508 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.5 mp -103.32 113.64 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.604 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' B' ' 450' ' ' SER . 47.9 mt -102.88 143.19 32.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 434' ' ' ILE . . . . . 0.478 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.68 119.88 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -122.57 127.51 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 436' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.14 119.59 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.21 40.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.627 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.15 179.48 45.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.68 128.07 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.879 0.371 . . . . 0.0 110.522 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.83 75.75 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 89.0 p -110.42 -4.27 15.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 0.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.532 ' HZ2' ' HB3' ' C' ' 644' ' ' ASP . 55.1 mmtt -89.14 153.91 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -56.91 -43.8 81.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 444' ' ' ILE . . . . . 0.645 HG22 ' OG1' ' B' ' 479' ' ' THR . 9.5 pt -95.15 135.95 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -105.77 154.71 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.74 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 76.5 m -149.47 130.65 14.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 448' ' ' TRP . . . . . 0.539 ' CZ2' HG21 ' B' ' 473' ' ' VAL . 6.4 t-105 -114.81 116.23 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 449' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 4.6 m-20 -109.47 127.24 54.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.234 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 450' ' ' SER . . . . . 0.478 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.94 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.945 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 451' ' ' ILE . . . . . 0.476 HD11 HD21 ' B' ' 347' ' ' LEU . 45.4 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.254 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.2 m-70 -108.67 132.41 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.82 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 78.0 t -128.71 95.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.22 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 454' ' ' VAL . . . . . 0.424 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.9 p -96.7 153.59 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 455' ' ' GLU . . . . . 0.424 ' N ' HG22 ' B' ' 454' ' ' VAL . 95.6 mt-10 -131.82 102.25 5.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.338 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 456' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' B' ' 467' ' ' TYR . 63.3 t -79.08 139.64 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -123.52 68.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.447 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 458' ' ' GLU . . . . . 0.475 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 82.4 tt0 -40.28 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.632 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 459' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' B' ' 464' ' ' THR . 88.3 tttt -109.35 142.01 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.04 -54.09 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.77 146.52 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 462' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.36 -12.75 47.88 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 69.4 mtm-85 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 464' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.8 t -82.28 123.64 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 465' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.71 151.86 32.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -92.96 126.57 38.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 467' ' ' TYR . . . . . 0.41 ' CE2' HG22 ' B' ' 456' ' ' VAL . 88.5 m-85 -103.14 139.49 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.89 86.12 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 469' ' ' LEU . . . . . 0.778 HD12 ' H ' ' B' ' 470' ' ' THR . 29.4 tp -82.13 157.56 24.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 470' ' ' THR . . . . . 0.778 ' H ' HD12 ' B' ' 469' ' ' LEU . 80.7 m -157.84 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.105 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 64.6 p -64.63 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.092 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 472' ' ' THR . . . . . 0.467 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.73 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.143 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 473' ' ' VAL . . . . . 0.539 HG21 ' CZ2' ' B' ' 448' ' ' TRP . 7.7 p -69.74 143.79 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 474' ' ' MET . . . . . 0.535 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.6 ttt -124.78 96.01 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.166 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 475' ' ' LEU . . . . . 0.617 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.1 tp -86.64 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 130.31 51.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 29.4 mt -137.43 124.67 21.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.743 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.19 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 479' ' ' THR . . . . . 0.645 ' OG1' HG22 ' B' ' 444' ' ' ILE . 72.8 m -163.44 127.46 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.642 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 480' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.15 73.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttm -107.61 146.68 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 53.0 p -57.28 -46.03 83.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 483' ' ' GLY . . . . . 0.474 ' H ' ' HG2' ' B' ' 481' ' ' LYS . . . -63.55 -25.33 68.66 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 484' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 486' ' ' THR . 34.7 p -125.88 14.83 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 110.607 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.59 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 486' ' ' THR . . . . . 0.528 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 12.6 p -125.97 113.97 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.499 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 22.8 ttp -125.09 118.07 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -118.98 123.98 45.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 489' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.8 tp -131.66 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.87 21.78 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 491' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.67 11.08 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 492' ' ' SER . . . . . 0.718 ' C ' HD22 ' B' ' 493' ' ' LEU . 24.7 t 163.27 135.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 493' ' ' LEU . . . . . 0.718 HD22 ' C ' ' B' ' 492' ' ' SER . 4.1 mm? -110.59 149.45 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 494' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 56.6 m -127.09 142.84 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -149.91 128.69 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.701 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 496' ' ' GLN . . . . . 0.609 ' N ' ' NE2' ' B' ' 496' ' ' GLN . 1.4 mp0 -92.82 160.59 14.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 27.3 ttt -160.09 130.44 5.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 498' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.6 pm0 -133.53 141.61 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -172.21 145.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 500' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.1 p-10 -91.31 125.23 36.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.66 160.18 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.26 131.82 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.62 122.42 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 92.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.94 -35.87 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 506' ' ' SER . . . . . 0.436 ' O ' ' OD1' ' A' ' 272' ' ' ASN . 78.1 p -83.63 -19.81 34.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 18.3 t -135.51 73.45 62.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 508' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.2 Cg_exo -72.54 -172.6 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.8 2.333 . . . . 0.0 112.171 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -58.77 -62.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 67.4 mt -42.77 -48.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 511' ' ' ALA . . . . . 0.476 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -55.03 -49.24 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.585 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.97 -48.17 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.06 -33.63 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.599 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 514' ' ' GLY . . . . . 0.626 ' HA3' ' CE2' ' A' ' 271' ' ' TRP . . . -66.71 -46.54 74.6 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -57.38 -44.36 84.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.692 0.282 . . . . 0.0 110.675 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.24 -52.46 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.543 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.45 -47.24 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.621 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -57.87 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 519' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.4 t0 -63.56 -37.43 87.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.739 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.6 tpp -64.44 -49.38 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 521' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 524' ' ' ILE . 5.4 tp10 -62.61 -45.29 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.705 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 522' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 28.5 t-20 -56.88 -41.44 78.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.58 -38.52 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 524' ' ' ILE . . . . . 0.481 ' O ' HD23 ' B' ' 528' ' ' LEU . 2.4 tp -74.35 -24.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 525' ' ' ARG . . . . . 0.649 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.63 66.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 526' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.0 t -85.02 -38.77 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.694 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 11.8 m -66.0 -35.77 81.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 528' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 3.0 mm? -65.01 -42.31 94.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 529' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' B' ' 525' ' ' ARG . 54.6 m-20 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.645 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.38 -54.47 7.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.39 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 532' ' ' TYR . . . . . 0.749 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 6.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 533' ' ' PHE . . . . . 0.64 ' HB3' ' OG ' ' A' ' 251' ' ' SER . 0.2 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.08 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 535' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' B' ' 536' ' ' THR . 8.7 ttmm -56.93 -68.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.461 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.6 m -34.73 -58.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -50.37 -53.26 30.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -53.21 -44.93 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 539' ' ' ILE . . . . . 0.598 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 35.2 mm -61.77 -36.06 71.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.42 -42.0 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.71 -17.23 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.39 -27.4 48.28 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.6 mt -68.07 -51.46 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.747 0.308 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 544' ' ' ARG . . . . . 0.762 ' HG2' ' H ' ' B' ' 545' ' ' SER . 24.4 ttt180 -141.8 170.09 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.697 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 545' ' ' SER . . . . . 0.762 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 11.2 t -142.2 137.87 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 546' ' ' ILE . . . . . 0.418 HG13 ' N ' ' B' ' 547' ' ' ASP . 9.6 pt -69.05 -43.49 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 547' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 547' ' ' ASP . 50.6 p-10 -82.88 138.59 33.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.06 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 551' ' ' ASP . 18.8 mt -79.44 112.67 30.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.4 Cg_exo -46.48 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.897 2.398 . . . . 0.0 112.077 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.573 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.28 145.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.63 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 552' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 31.5 p30 -129.88 116.19 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.29 -24.8 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.651 ' HG3' ' H ' ' B' ' 555' ' ' TYR . 12.9 ptmt -52.56 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 555' ' ' TYR . . . . . 0.651 ' H ' ' HG3' ' B' ' 554' ' ' LYS . 91.4 t80 -45.16 -56.67 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.53 -46.91 83.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.88 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.8 -30.31 51.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -73.58 -36.39 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -58.15 -40.55 81.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 561' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 565' ' ' VAL . 11.9 tm-20 -67.79 -61.77 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.721 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.887 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 51.9 tp -49.04 -40.67 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.675 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 66.4 m -61.22 -76.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 563' ' ' SER . 99.3 mm-40 -36.78 -13.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.887 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.5 t -72.14 -42.71 67.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 563' ' ' SER . 53.5 mt -81.47 -35.6 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.6 p -70.23 -19.6 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -117.58 6.66 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 569' ' ' ARG . . . . . 0.942 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 1.0 OUTLIER -160.94 -141.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 570' ' ' GLN . . . . . 0.942 ' HB3' ' O ' ' B' ' 569' ' ' ARG . 0.0 OUTLIER 139.74 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 571' ' ' ILE . . . . . 0.815 HG22 ' O ' ' B' ' 570' ' ' GLN . 3.1 tp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 601' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' C' ' 601' ' ' MET . 4.8 mpp? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.98 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 603' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' C' ' 604' ' ' LYS . 36.2 p-10 -49.76 -37.87 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 604' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' C' ' 603' ' ' ASP . 97.9 mttt -69.73 -52.17 27.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -55.08 -28.95 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -75.68 -53.63 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 607' ' ' MET . . . . . 0.516 ' HG2' HD11 ' C' ' 632' ' ' LEU . 9.5 mtt -72.74 -36.83 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -56.82 -15.97 5.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 609' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.65 13.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 610' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' C' ' 610' ' ' LEU . 4.0 mt -66.23 1.97 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 611' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' C' ' 609' ' ' ALA . 87.8 tttt -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.35 -4.24 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 613' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.0 21.87 58.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 614' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' C' ' 616' ' ' ASP . 7.4 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.515 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 615' ' ' LEU . . . . . 0.957 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.7 tm? -45.0 -17.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 616' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.9 m-20 -77.68 -27.54 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 617' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 614' ' ' ASP . 54.7 mm-40 -81.44 -49.91 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 618' ' ' VAL . . . . . 0.527 ' CG1' HD22 ' C' ' 615' ' ' LEU . 7.8 p -62.85 -28.35 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.581 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 619' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 54.4 tttp -66.2 -21.86 66.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 620' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.2 t0 -75.38 -45.39 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 621' ' ' TYR . . . . . 0.508 ' CE2' ' OD2' ' C' ' 627' ' ' ASP . 53.1 t80 -60.98 -59.17 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -27.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.561 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 623' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.73 -16.76 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.78 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 625' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.89 82.35 0.1 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 626' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' C' ' 625' ' ' GLY . 5.1 pt-20 34.24 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 627' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' C' ' 621' ' ' TYR . 45.7 p30 -141.02 62.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 628' ' ' VAL . . . . . 0.773 ' O ' HG23 ' C' ' 628' ' ' VAL . 20.1 m -122.0 76.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -173.04 5.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 630' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' C' ' 630' ' ' ARG . 80.0 mtt-85 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 631' ' ' THR . . . . . 0.498 ' O ' ' C ' ' C' ' 632' ' ' LEU . 68.2 p -82.08 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 632' ' ' LEU . . . . . 0.516 HD11 ' HG2' ' C' ' 607' ' ' MET . 15.3 tp -31.3 -88.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.413 ' OE2' ' OH ' ' C' ' 641' ' ' TYR . 95.8 mt-10 -71.69 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 634' ' ' GLY . . . . . 0.402 ' H ' HH11 ' A' ' 260' ' ' ARG . . . -153.65 -11.39 0.07 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 635' ' ' GLY . . . . . 0.528 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 636' ' ' ARG . . . . . 0.723 ' NE ' ' NZ ' ' A' ' 256' ' ' LYS . 19.0 ttm180 -127.88 164.95 21.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 637' ' ' LYS . . . . . 0.522 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.45 157.01 37.64 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.66 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.862 2.374 . . . . 0.0 112.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 639' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.73 -16.31 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 640' ' ' HIS . . . . . 0.549 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 33.4 t-80 -75.21 -43.88 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 641' ' ' TYR . . . . . 0.622 ' CE2' ' NH1' ' C' ' 636' ' ' ARG . 25.6 m-85 -71.7 -36.0 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.483 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 642' ' ' ALA . . . . . 0.669 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -45.01 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.46 62.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 644' ' ' ASP . . . . . 0.549 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 75.3 m-20 -60.6 -35.67 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.532 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 645' ' ' CYS . . . . . 0.48 ' SG ' ' NZ ' ' B' ' 442' ' ' LYS . 2.2 p -160.91 65.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 646' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.05 34.1 4.46 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 647' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.9 mt-30 51.68 4.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 648' ' ' LEU . . . . . 0.965 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 6.97 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.587 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -115.72 -12.6 11.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.55 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 1.074 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.27 -52.96 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 652' ' ' GLU . . . . . 0.747 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 66.9 mm-40 -56.2 -22.62 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.87 -97.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 654' ' ' LEU . . . . . 1.018 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.43 6.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 15.5 tp -102.91 -47.94 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.27 -25.38 64.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -72.75 -90.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 658' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.28 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 659' ' ' ALA . . . . . 0.693 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.506 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 660' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.44 10.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 661' ' ' ILE . . . . . 0.693 ' H ' ' C ' ' C' ' 659' ' ' ALA . 3.1 tp -66.02 1.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 662' ' ' ASN . . . . . 1.112 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.9 p30 -163.65 -18.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 663' ' ' ALA . . . . . 0.77 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.18 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 664' ' ' PRO . . . . . 1.112 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.2 Cg_exo -46.95 120.83 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.902 2.402 . . . . 0.0 112.106 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 665' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 26.9 p-10 -125.93 -50.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 666' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 32.9 ttmt -78.89 -16.11 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 667' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.2 m80 -80.49 -6.25 57.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 669' ' ' ILE . . . . . 0.491 HG22 ' O ' ' C' ' 667' ' ' HIS . 16.1 tt -176.91 147.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.494 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 670' ' ' THR . . . . . 0.416 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.71 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 671' ' ' PRO . . . . . 0.487 ' O ' ' OG ' ' C' ' 674' ' ' SER . 53.2 Cg_endo -72.52 -30.49 12.18 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.82 2.346 . . . . 0.0 112.11 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 672' ' ' LEU . . . . . 0.742 HD23 ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.32 -49.11 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.517 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 673' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.2 mp -67.88 -27.79 66.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.529 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 674' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' C' ' 677' ' ' TYR . 17.7 p -51.77 -40.9 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 675' ' ' ALA . . . . . 0.414 ' HB3' HG12 ' C' ' 684' ' ' VAL . . . -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 676' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.8 t -47.13 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 677' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' C' ' 674' ' ' SER . 33.7 p90 -77.89 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -124.56 -28.64 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.23 -11.35 72.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 5.9 m-70 -71.9 -53.56 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 681' ' ' VAL . . . . . 0.722 ' O ' HG22 ' C' ' 684' ' ' VAL . 1.4 t 43.28 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.626 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.38 -24.31 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 684' ' ' VAL . . . . . 0.722 HG22 ' O ' ' C' ' 681' ' ' VAL . 2.3 m -41.89 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 685' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' C' ' 687' ' ' LEU . 53.9 tttp -62.55 -73.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 1.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 687' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' C' ' 661' ' ' ILE . 24.0 tp -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.62 -21.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.3 m -55.71 -21.6 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -99.64 -6.24 27.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.76 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 692' ' ' ALA . . . . . 0.552 ' HB2' HG12 ' C' ' 661' ' ' ILE . . . 24.2 18.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 44.2 t0 33.16 -128.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.581 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 694' ' ' LYS . . . . . 0.531 ' HG3' HG22 ' C' ' 695' ' ' THR . 62.6 pttt -152.56 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 695' ' ' THR . . . . . 0.663 ' O ' HG23 ' C' ' 695' ' ' THR . 8.2 t -156.57 73.48 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.41 -29.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -140.12 23.6 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.74 20.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 699' ' ' PRO . . . . . 0.644 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.76 -27.74 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.813 2.342 . . . . 0.0 112.184 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 700' ' ' ASP . . . . . 0.644 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 3.8 m-20 157.73 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 701' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' C' ' 705' ' ' LEU . . . -84.85 0.39 89.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 702' ' ' LEU . . . . . 0.636 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.81 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 703' ' ' THR . . . . . 0.869 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 14.5 p 16.23 -95.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 704' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.63 -18.63 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 705' ' ' LEU . . . . . 0.597 ' HB3' ' O ' ' C' ' 701' ' ' GLY . 2.7 tt -62.88 -75.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.609 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.8 15.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.51 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 707' ' ' ALA . . . . . 0.869 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 54.9 p -139.79 -142.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -148.86 -4.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -72.61 151.82 42.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -71.51 -20.52 62.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.19 -60.39 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.01 -37.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -52.07 -29.89 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.26 14.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 716' ' ' LEU . . . . . 0.827 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 717' ' ' LEU . . . . . 0.827 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 0.8 OUTLIER 124.15 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 718' ' ' GLN . . . . . 0.72 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 4.9 tp-100 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 7' ' ' ARG . 74.3 mtt-85 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.07 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.782 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.9 p -45.93 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 14' ' ' VAL . 98.9 m-20 -64.98 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.57 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.47 -39.33 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -67.57 -40.95 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.634 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -63.69 -35.9 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.2 t -65.22 -43.81 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.52 -39.74 92.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.44 -47.36 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.95 75.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.56 75.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.97 -41.34 91.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -65.14 -44.86 87.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.678 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.66 -46.46 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -75.99 8.4 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.71 15.33 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.96 81.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.21 167.48 21.9 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.844 2.363 . . . . 0.0 112.037 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 47.2 Cg_endo -70.87 116.15 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.785 2.323 . . . . 0.0 112.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.44 35.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.537 ' OE1' ' NH1' ' B' ' 315' ' ' ARG . 42.6 mt-10 -149.27 37.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -73.99 -48.76 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.04 -57.44 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.547 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 41.4 mp0 -44.47 -54.46 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.0 t -60.74 -42.57 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 37.2 t80 -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.06 -37.87 81.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.13 -42.03 96.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 32' ' ' VAL . 90.2 t -67.07 -41.9 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.611 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.27 -54.86 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.2 mm? -59.29 -34.78 72.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.26 -49.69 26.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.77 -32.57 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.7 t30 46.56 49.76 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.539 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 28.2 t-20 -168.69 79.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -51.86 -37.89 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -54.18 -44.22 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.8 mt -77.2 -30.86 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.531 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.4 tp -62.77 -38.66 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.18 -35.61 80.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.566 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -40.95 -59.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.69 0.92 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.12 -56.81 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.46 87.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.33 -36.97 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.631 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.46 -54.45 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.53 -56.59 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.64 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.4 tp60 -33.6 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -59.99 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -46.97 -30.93 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.1 ttp -68.9 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.85 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.7 mm-40 -124.56 24.8 7.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.87 44.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.489 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' GLN . 24.1 m -58.8 111.36 3.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.7 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.92 2.413 . . . . 0.0 112.182 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.4 p -109.38 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.63 ' N ' HG22 ' A' ' 65' ' ' VAL . 23.4 ttpp -125.2 103.97 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.526 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.887 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.56 148.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.887 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.535 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.41 75.16 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.788 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.49 14.78 2.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.631 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.606 ' C ' ' O ' ' A' ' 70' ' ' TYR . 31.6 t70 20.17 39.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 1.072 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.4 OUTLIER -98.77 19.39 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.706 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.0 mm100 -0.24 50.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.487 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.072 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.72 ' N ' HG22 ' A' ' 74' ' ' VAL . 47.4 mt -113.36 152.31 30.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.05 105.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.18 -176.91 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.83 -31.27 45.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.455 ' CE1' HD13 ' A' ' 155' ' ' ILE . 80.3 m-70 -64.03 -23.54 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.64 50.51 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.52 100.03 11.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.344 . . . . 0.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -49.66 -51.48 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.74 25.36 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -116.04 1.19 13.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.825 0.345 . . . . 0.0 110.634 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.23 -15.79 9.3 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' A' ' 107' ' ' ASP . 14.7 mtt-85 -108.4 168.74 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.1 m-85 -114.57 -170.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.9 tp -118.31 157.32 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.706 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.0 t0 -139.29 89.0 12.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.8 Cg_endo -60.96 -36.7 81.77 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.855 2.37 . . . . 0.0 112.022 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -59.47 -75.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.676 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 t-20 -76.53 -20.34 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.51 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 29.1 mttp 62.77 62.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.648 HD13 ' OD1' ' A' ' 92' ' ' ASN . 23.5 pt -146.43 154.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.829 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.5 t -92.64 132.99 36.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.8 p90 -140.1 136.68 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.459 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.687 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 73.7 tttt -88.73 113.42 24.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.896 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 47.9 t80 -82.71 133.1 35.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 102' ' ' ARG . 8.7 t70 -104.51 90.07 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.581 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.461 ' CB ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.44 -67.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 101' ' ' LEU . 11.0 mp -47.52 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 99' ' ' ASP . 86.7 mtm180 -52.8 156.32 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -88.94 2.37 53.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.862 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 63.3 m -95.56 -164.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.862 ' OD1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 73.72 54.54 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.829 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.2 Cg_endo -73.53 -177.82 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.801 2.334 . . . . 0.0 112.081 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.0 OUTLIER -160.09 124.56 2.11 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.483 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.18 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.86 2.373 . . . . 0.0 112.04 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -122.87 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -75.52 88.45 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.4 p -46.93 164.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.07 -30.08 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.94 35.62 1.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.677 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.5 tp -104.1 3.36 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.708 ' HZ2' HH21 ' A' ' 121' ' ' ARG . 10.6 mmpt? -53.97 -41.89 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 94.9 mt-30 -39.25 -55.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -62.54 -47.62 83.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.708 HH21 ' HZ2' ' A' ' 118' ' ' LYS . 5.5 tmm_? -53.91 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.568 ' C ' ' O ' ' A' ' 121' ' ' ARG . 99.6 m-20 -25.5 -45.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.99 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.424 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.2 t70 -40.38 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 31.6 m -48.02 -46.16 32.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.501 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.32 -51.41 34.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -72.84 -12.25 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.637 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.41 -32.7 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.631 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.602 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.74 -38.8 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 134' ' ' ASP . 93.8 t -74.72 -40.54 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 49.9 tttm -76.12 25.95 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.631 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.6 m-20 -147.55 7.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -151.07 -21.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' B' ' 544' ' ' ARG . 85.5 m-85 -114.66 106.43 52.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.58 -57.19 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.833 2.355 . . . . 0.0 112.045 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -127.57 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.91 163.62 12.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.585 ' HB2' HD21 ' A' ' 75' ' ' LEU . 55.5 m-85 -135.05 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 110.599 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.9 m -161.41 97.37 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 40.8 t -75.73 143.39 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.589 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 54.8 m-85 -120.21 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.73 84.56 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -123.81 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 38.4 t -107.61 115.39 30.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.541 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.499 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 20.5 mt -91.14 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.51 ' O ' ' OD2' ' A' ' 149' ' ' ASP . 4.4 p-10 46.64 54.18 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.73 4.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.78 129.84 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.651 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.657 ' H ' HG21 ' A' ' 181' ' ' ILE . 22.7 mt-30 -85.8 150.47 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.436 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.959 HG23 ' C ' ' A' ' 179' ' ' PHE . 99.2 m -155.21 146.23 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.53 110.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.403 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.589 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 85.5 mt -98.05 117.01 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.83 116.05 27.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 47.1 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.0 mt -122.71 137.69 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.253 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.37 151.91 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.986 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.744 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.91 121.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.673 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.9 p-80 -140.64 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.992 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.6 mm-40 -148.63 77.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.207 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.673 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.4 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.524 ' OE1' ' ND2' ' A' ' 167' ' ' ASN . 1.3 tm0? -167.99 66.01 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.59 -52.18 4.16 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.839 2.36 . . . . 0.0 112.141 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.487 ' C ' HD22 ' A' ' 167' ' ' ASN . 64.0 mttp -43.85 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.466 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . 0.687 ' N ' ' O ' ' A' ' 165' ' ' PRO . 1.2 m-80 -121.96 -10.5 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.46 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.813 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.4 m-85 70.07 80.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.813 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.7 p-90 158.8 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.96 162.32 33.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.86 163.15 29.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.579 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.8 ttp180 -165.69 136.7 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' TRP . . . . . 0.744 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.5 t-105 -107.61 138.91 42.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.83 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -125.35 152.27 44.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.179 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.474 ' HB2' ' NE1' ' A' ' 173' ' ' TRP . 1.0 OUTLIER -166.33 111.12 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.058 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.641 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 43.8 tt0 -116.41 124.7 50.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.076 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.689 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.9 m95 -120.59 116.87 26.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.953 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.56 119.8 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.959 ' C ' HG23 ' A' ' 153' ' ' THR . 34.9 m-85 -117.48 88.56 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.95 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 16.6 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' ILE . . . . . 0.82 ' O ' HG23 ' A' ' 182' ' ' THR . 9.6 tp -164.31 151.34 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.942 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.48 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 1.056 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 79.7 Cg_exo -34.33 12.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.416 2.744 . . . . 0.0 112.712 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . 0.942 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 61.6 Cg_endo -79.83 -4.29 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.855 2.37 . . . . 0.0 112.153 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' THR . . . . . 1.073 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.181 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.84 131.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.941 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 1.085 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 28.1 mp0 -106.73 -115.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.249 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.65 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' ALA . . . . . 0.764 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.8 111.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.49 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.77 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' LEU . . . . . 0.707 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 2.4 mp -85.57 157.83 20.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -150.33 147.78 28.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 2.3 mt -149.42 134.08 9.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.276 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.34 130.31 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.904 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.69 136.63 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.159 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . 0.773 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.4 t-160 -126.52 141.56 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.927 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.52 87.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.783 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.8 p90 -100.09 87.79 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.8 tt0 -129.46 52.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.334 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.9 m-20 114.82 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.401 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.68 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -172.84 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.02 129.13 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.7 mt-30 -136.73 154.16 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.542 HD12 ' O ' ' B' ' 488' ' ' ASN . 12.4 tp -122.32 87.16 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.6 t -89.98 122.19 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 53.3 p -149.58 147.2 27.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' HIS . . . . . 0.461 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 33.8 p80 -157.84 145.13 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.19 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -135.46 129.01 32.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.866 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' A' ' 191' ' ' VAL . 65.7 m-20 -103.56 129.83 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 212' ' ' ILE . 2.0 mp -127.13 154.93 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.913 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -150.23 102.67 3.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' ASP . . . . . 0.647 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 35.2 t70 -118.83 166.1 13.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.72 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 1.085 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 83.6 p -117.79 103.39 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' VAL . . . . . 1.181 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.95 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' GLN . . . . . 1.073 ' HA ' ' O ' ' A' ' 185' ' ' THR . 84.1 mt-30 -102.68 128.03 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' VAL . . . . . 1.069 HG23 ' HB2' ' A' ' 186' ' ' ALA . 67.3 t -85.99 137.52 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.615 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.956 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.04 -98.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.24 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.3 p-10 -86.82 -62.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.47 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 91.7 t -70.06 -24.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.95 -56.78 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.956 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.8 p -54.59 -36.93 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.431 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.58 -57.05 14.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.465 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.372 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -67.6 -38.8 84.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.414 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.437 ' CE1' HG11 ' A' ' 216' ' ' VAL . 37.7 m-85 -67.73 -53.92 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.19 -27.27 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -74.89 -36.75 62.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.337 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 231' ' ' ILE . . . . . 0.415 HD11 ' HB ' ' A' ' 216' ' ' VAL . 94.9 mt -67.52 -41.14 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 232' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' A' ' 236' ' ' GLU . 51.5 mt -70.12 -44.49 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.393 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 234' ' ' ASN . 4.5 tm-20 -57.06 -47.02 81.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.495 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 234' ' ' ASN . . . . . 0.434 ' OD1' ' OE1' ' A' ' 233' ' ' GLU . 99.0 m-20 -69.58 -43.93 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.86 61.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.475 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 236' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 232' ' ' ILE . 76.5 mm-40 -60.24 -44.09 95.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 237' ' ' ASN . . . . . 0.577 ' O ' HG23 ' A' ' 241' ' ' THR . 0.3 OUTLIER -60.09 -40.15 88.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.409 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -69.86 -34.22 73.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 239' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 243' ' ' ILE . 51.8 t80 -68.54 -44.41 74.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -68.14 -39.02 82.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 241' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 237' ' ' ASN . 17.5 p -61.42 -45.79 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 243' ' ' ILE . . . . . 0.492 HD11 ' CE2' ' A' ' 239' ' ' TYR . 40.5 mt -69.15 -47.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.552 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 39.0 t -60.66 -34.25 74.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.88 -42.93 84.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 246' ' ' ASN . . . . . 0.617 HD21 ' CB ' ' B' ' 484' ' ' SER . 51.2 m-20 -62.13 -34.61 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.496 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 247' ' ' TYR . . . . . 0.586 ' CE2' ' NZ ' ' B' ' 537' ' ' LYS . 0.0 OUTLIER -64.92 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.28 -50.85 19.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 249' ' ' THR . . . . . 0.559 ' O ' ' HB ' ' A' ' 253' ' ' THR . 45.7 p -64.76 -34.84 79.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.574 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.2 ptp -72.88 -14.43 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.9 p -113.06 -10.06 13.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 252' ' ' ASP . . . . . 0.656 ' O ' ' OG1' ' A' ' 253' ' ' THR . 54.5 t0 -132.16 47.77 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 253' ' ' THR . . . . . 0.656 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.1 m 175.71 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 254' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 253' ' ' THR . 6.8 m -53.48 -61.3 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -47.65 -57.55 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -64.18 -11.76 33.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.23 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 95.4 mt -77.97 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 259' ' ' ARG . . . . . 0.685 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 2.9 ttt180 -98.65 174.47 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 260' ' ' ARG . . . . . 0.685 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 49.1 mtp180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.77 -11.21 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.66 133.27 3.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 263' ' ' PRO . . . . . 0.722 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.94 135.4 7.82 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.92 2.414 . . . . 0.0 112.098 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 264' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 265' ' ' THR . 10.5 p -37.75 -39.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 265' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 267' ' ' THR . 63.1 p -64.19 -5.42 4.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 85.6 mtm180 54.18 55.52 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.4 t 173.31 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 63.9 mttp -16.8 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.575 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 269' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.7 OUTLIER -50.37 158.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.81 ' O ' ' N ' ' A' ' 273' ' ' LYS . 84.2 m-20 -117.07 58.52 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 271' ' ' TRP . . . . . 0.61 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.0 m95 -21.44 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.654 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 270' ' ' ASP . 17.4 t-20 -44.6 -25.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . 1.22 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -100.0 -7.7 24.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.601 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 274' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 274' ' ' ILE . 58.8 mt -103.12 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.626 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . 0.717 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.7 mt -111.12 44.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 276' ' ' SER . . . . . 1.285 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.8 p 141.93 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 1.22 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.2 t80 -30.97 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 278' ' ' LYS . . . . . 1.285 ' N ' ' O ' ' A' ' 276' ' ' SER . 13.7 mptt -107.71 80.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.573 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 1.076 ' O ' ' O ' ' A' ' 280' ' ' GLY . 17.8 mm 54.26 3.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 280' ' ' GLY . . . . . 1.076 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.58 -135.16 0.0 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.525 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 302' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 28.9 t . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -42.71 -51.27 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -55.33 -34.13 63.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 305' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.72 -49.08 78.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.28 -40.6 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 99.2 m -68.2 -37.11 80.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 309' ' ' ALA . . . . . 0.72 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.351 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.34 -38.41 84.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.368 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.29 -33.68 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.364 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.75 -43.77 75.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.2 mmm -64.37 -25.62 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.394 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 315' ' ' ARG . . . . . 0.604 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.6 mtt-85 -100.11 -46.87 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.69 147.73 95.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.618 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.65 128.4 21.03 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.828 2.352 . . . . 0.0 112.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 318' ' ' PRO . . . . . 0.423 ' HA ' HG13 ' B' ' 321' ' ' ILE . 41.9 Cg_endo -71.41 -4.09 14.29 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.858 2.372 . . . . 0.0 112.079 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . 0.477 ' NE2' ' CG ' ' B' ' 488' ' ' ASN . 79.2 mt-30 -80.53 -17.81 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -123.96 39.53 3.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 321' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' B' ' 318' ' ' PRO . 86.8 mt -63.38 -40.89 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 322' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' B' ' 322' ' ' GLU . 3.2 mp0 -59.68 -60.87 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.62 -54.39 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -54.71 -55.77 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.443 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.52 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 43.9 tp -47.12 -48.95 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.422 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.9 t -57.1 -49.68 75.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.33 -40.71 97.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' LEU . . . . . 0.72 HD21 ' HB1' ' B' ' 309' ' ' ALA . 49.1 tp -55.55 -41.07 72.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.486 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.45 -41.19 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.434 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -57.75 -38.02 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.25 -29.07 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.369 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.15 -5.54 15.04 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.708 2.272 . . . . 0.0 112.056 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 94.1 p -89.36 -6.38 56.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 99.0 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' CYS . . . . . 0.428 ' SG ' HD11 ' B' ' 340' ' ' LEU . 12.2 t -64.13 -55.85 18.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.35 -50.43 73.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.73 -36.16 73.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.488 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 61.3 mt -79.08 -28.64 43.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.56 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' LEU . . . . . 0.649 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.5 mt -81.49 12.41 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 52.9 p -144.12 -3.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.0 p -119.4 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.83 120.1 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -87.84 128.69 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.52 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.33 165.93 29.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.527 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.52 125.27 5.97 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.794 2.33 . . . . 0.0 112.124 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 347' ' ' LEU . 97.4 mt -66.63 122.48 17.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -88.64 148.82 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.447 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.9 pt -102.96 136.4 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.725 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' ALA . . . . . 0.733 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.72 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.439 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -114.36 143.29 45.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 68.1 t0 -111.86 81.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.512 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 66.5 mmtt -37.26 -62.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 98.0 t -39.52 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.0 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.17 24.66 70.74 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' B' ' 352' ' ' ASP . 29.2 tptt -115.03 154.88 28.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.598 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 358' ' ' ASP . . . . . 0.733 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 39.3 p30 -94.75 143.05 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.689 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.5 p90 -139.68 135.71 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 58.8 mt -69.17 156.61 38.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.479 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.9 mt -108.5 158.62 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 362' ' ' CYS . . . . . 0.649 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.5 p -168.26 168.62 11.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 363' ' ' ASP . . . . . 0.649 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.8 t70 -75.47 -10.27 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 364' ' ' TYR . . . . . 0.608 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 44.5 m-85 -88.37 -18.18 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 365' ' ' ASN . . . . . 0.649 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 35.1 p-10 -123.28 24.82 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 366' ' ' ARG . . . . . 0.487 HH22 HD13 ' B' ' 340' ' ' LEU . 30.6 ttp180 -119.93 129.86 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.2 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.02 -98.72 1.74 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.3 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.545 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 370' ' ' SER . . . . . 1.101 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.39 161.31 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 371' ' ' TYR . . . . . 1.083 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.6 m-85 -118.29 150.79 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . 0.588 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.0 ttp180 -98.71 124.69 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 373' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 32.9 t -79.53 133.76 59.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.9 -14.77 19.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.831 2.354 . . . . 0.0 112.223 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -85.85 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.4 p -83.17 -18.6 38.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 377' ' ' ASN . . . . . 0.638 ' ND2' ' NE ' ' B' ' 394' ' ' ARG . 34.2 t30 70.27 40.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -141.56 137.89 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 379' ' ' TYR . . . . . 1.083 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 35.8 m-85 -65.72 140.47 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 380' ' ' ASP . . . . . 0.754 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -52.02 -60.42 6.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 381' ' ' PRO . . . . . 1.101 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.7 Cg_exo -65.42 120.03 7.16 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.001 2.467 . . . . 0.0 112.32 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.58 79.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.032 2.488 . . . . 0.0 112.233 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.57 177.55 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.52 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . 0.596 ' H ' HD23 ' B' ' 383' ' ' LEU . 97.4 mt-10 -111.66 -72.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -117.01 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.525 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 387' ' ' ALA . . . . . 0.513 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.98 127.26 30.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 0.0 110.632 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.6 mtm -132.23 148.6 70.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.98 150.76 49.34 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.746 2.298 . . . . 0.0 112.17 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 93.8 p -52.72 142.9 17.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -67.92 -37.81 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 52.9 tp -70.82 -42.49 70.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.638 ' NE ' ' ND2' ' B' ' 377' ' ' ASN . 43.4 ttm180 -55.29 -36.84 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -63.53 -46.57 85.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.336 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.37 -32.02 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 397' ' ' GLU . . . . . 0.567 ' CD ' HH22 ' B' ' 372' ' ' ARG . 43.0 tt0 -67.8 -38.04 82.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.06 -40.28 88.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -37.03 79.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.92 94.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.394 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 401' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.9 -39.07 93.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.367 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -72.13 -40.4 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.97 79.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.33 -29.2 66.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.416 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 405' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 23.4 m-20 -54.66 -38.85 67.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -77.03 -32.91 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 407' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 407' ' ' TYR . 2.0 t80 -69.74 -18.62 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 408' ' ' ARG . . . . . 0.601 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.2 OUTLIER -83.84 -35.48 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.547 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 409' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 9.7 t0 -85.2 -8.91 58.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 410' ' ' LEU . . . . . 0.674 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 46.4 mt -95.9 -17.87 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 411' ' ' TYR . . . . . 0.722 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.88 -38.08 3.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.547 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.6 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 63.47 24.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.52 25.5 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 415' ' ' GLY . . . . . 0.601 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.42 -163.49 52.91 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 15.5 t -128.66 153.69 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 19.8 p -143.52 148.52 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.701 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.3 m -148.22 143.97 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.397 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.83 130.26 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.808 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.551 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.2 m-85 -128.47 132.45 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.69 158.41 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.74 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 422' ' ' TRP . . . . . 0.975 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.6 p90 -154.48 110.53 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -43.01 159.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.633 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 424' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' B' ' 429' ' ' ALA . 56.7 mt -127.87 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 425' ' ' ASP . . . . . 0.434 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 98.0 m-20 -87.34 -49.88 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.74 30.69 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.68 -135.63 2.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 429' ' ' ALA . . . . . 0.975 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.97 172.8 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 430' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.76 35.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 431' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.4 p -130.13 126.36 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.33 113.67 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.3 mt -102.92 143.13 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 434' ' ' ILE . . . . . 0.459 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.65 119.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -122.56 127.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 436' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.2 tptm -137.17 119.67 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.536 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.17 40.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.12 179.48 45.25 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 439' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' B' ' 442' ' ' LYS . 62.6 m-20 -50.7 128.08 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.02 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 60.0 m -110.34 -4.28 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.618 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' B' ' 439' ' ' ASP . 0.0 OUTLIER -89.15 153.88 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.541 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -56.91 -43.82 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 444' ' ' ILE . . . . . 0.453 ' O ' ' HD3' ' B' ' 442' ' ' LYS . 12.8 tt -95.11 135.98 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.716 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.81 154.71 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.365 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.45 24.55 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 3.8 t -149.46 130.61 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.229 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 448' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.0 t-105 -114.77 116.25 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 449' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.47 127.19 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 450' ' ' SER . . . . . 0.6 ' OG ' ' CE1' ' B' ' 452' ' ' HIS . 1.2 t -115.89 122.72 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.0 mt -127.9 100.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.198 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 452' ' ' HIS . . . . . 0.6 ' CE1' ' OG ' ' B' ' 450' ' ' SER . 8.8 m-70 -108.71 132.49 53.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.825 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.7 t -128.74 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 454' ' ' VAL . . . . . 0.427 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.4 p -96.74 153.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 455' ' ' GLU . . . . . 0.427 ' N ' HG22 ' B' ' 454' ' ' VAL . 95.9 mt-10 -131.83 102.24 5.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 456' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' B' ' 467' ' ' TYR . 67.5 t -79.09 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.52 68.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.386 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 458' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 75.6 mt-10 -40.3 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 459' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.3 mmtp -109.33 142.04 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.96 -54.21 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.5 p -126.66 146.52 50.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.541 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 462' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.31 -12.79 48.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 59.16 -0.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.625 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 464' ' ' THR . . . . . 0.572 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.5 t -82.21 123.63 29.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 465' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.72 151.9 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.737 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 466' ' ' HIS . . . . . 0.52 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.7 t-160 -92.96 126.54 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 467' ' ' TYR . . . . . 0.419 ' CE2' HG22 ' B' ' 456' ' ' VAL . 88.6 m-85 -103.16 139.48 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.936 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . 0.4 ' CE ' ' NE2' ' B' ' 496' ' ' GLN . 88.0 tttt -135.84 86.14 2.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 469' ' ' LEU . . . . . 0.753 HD12 ' H ' ' B' ' 470' ' ' THR . 34.9 tp -82.12 157.49 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 0.0 111.097 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 470' ' ' THR . . . . . 0.753 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.7 m -157.8 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.109 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 49.1 m -64.66 174.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.099 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 472' ' ' THR . . . . . 0.508 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.5 m -168.76 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.109 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 473' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.76 143.83 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 474' ' ' MET . . . . . 0.454 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.2 mtp -124.8 96.03 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.16 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 3.6 tp -86.7 131.19 34.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 476' ' ' TRP . . . . . 0.516 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 50.4 m95 -125.31 130.3 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.215 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 4.7 mp -137.36 124.68 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -138.22 158.1 44.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 3.6 m -163.42 127.48 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 480' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 13.8 m120 -108.16 73.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 481' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' B' ' 485' ' ' GLY . 6.5 mmtt -107.56 146.6 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 20.2 m -57.24 -46.0 83.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.59 -25.3 68.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 484' ' ' SER . . . . . 0.617 ' CB ' HD21 ' A' ' 246' ' ' ASN . 74.3 m -125.89 14.82 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.587 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 485' ' ' GLY . . . . . 0.878 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 486' ' ' THR . . . . . 0.461 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 23.8 p -126.0 113.99 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.342 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 487' ' ' MET . . . . . 0.59 ' O ' ' SD ' ' B' ' 487' ' ' MET . 5.0 ppp? -125.14 118.05 25.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 488' ' ' ASN . . . . . 0.542 ' O ' HD12 ' A' ' 206' ' ' LEU . 34.0 t-20 -118.97 124.01 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 489' ' ' LEU . . . . . 0.452 ' HB2' HD13 ' A' ' 206' ' ' LEU . 13.2 tp -131.68 76.69 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.83 21.78 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 491' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.81 -142.64 11.08 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 492' ' ' SER . . . . . 0.645 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.5 p 163.25 135.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 494' ' ' THR . . . . . 0.508 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.6 m -127.11 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -149.98 128.76 12.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.643 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 496' ' ' GLN . . . . . 0.4 ' NE2' ' CE ' ' B' ' 468' ' ' LYS . 45.9 tt0 -92.81 160.54 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 47.1 ttp -160.05 130.42 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.52 141.62 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.24 145.83 1.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 500' ' ' ASP . . . . . 0.52 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 56.5 m-20 -91.31 125.21 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 501' ' ' GLU . . . . . 0.424 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.3 tt0 -120.72 160.22 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.6 m -94.3 131.86 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.66 122.37 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.3 p -142.99 -177.25 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.83 -35.91 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.61 -19.88 34.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 14.2 t -135.5 73.48 62.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.59 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.79 2.327 . . . . 0.0 112.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.75 -62.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.81 -49.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.98 -49.23 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 512' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.5 m-20 -62.99 -48.14 80.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.04 -33.67 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.64 -46.63 74.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.29 -44.32 83.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.24 -52.55 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.39 -47.25 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.88 -51.75 68.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.47 -37.59 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 25.1 tpp -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.53 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 522' ' ' ASN . . . . . 0.423 ' ND2' ' OH ' ' B' ' 411' ' ' TYR . 14.2 m120 -56.93 -41.42 78.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.61 -38.49 73.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 93.4 mt -74.45 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 525' ' ' ARG . . . . . 0.447 ' CG ' HH11 ' B' ' 525' ' ' ARG . 1.5 ttt-85 -68.73 -27.59 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -85.07 -38.73 18.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.649 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 13.5 m -66.04 -35.79 81.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 528' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 46.4 mt -64.98 -42.38 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 529' ' ' ASN . . . . . 0.408 ' ND2' ' C ' ' B' ' 529' ' ' ASN . 0.6 OUTLIER -68.53 -31.3 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.4 -54.45 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 531' ' ' ILE . . . . . 0.403 HD12 HG23 ' B' ' 531' ' ' ILE . 48.8 mm -64.41 -61.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 532' ' ' TYR . . . . . 0.688 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.3 m-85 -50.22 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 533' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.76 40.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 535' ' ' LYS . . . . . 0.497 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.3 tptm -56.93 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.546 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.445 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.9 m -34.78 -58.04 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 537' ' ' LYS . . . . . 0.586 ' NZ ' ' CE2' ' A' ' 247' ' ' TYR . 74.7 tttt -50.35 -53.24 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -53.26 -44.94 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 539' ' ' ILE . . . . . 0.458 HG21 HG13 ' A' ' 196' ' ' VAL . 91.2 mt -61.72 -36.05 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.42 -41.93 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -69.87 -17.11 63.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.46 -27.29 48.45 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.461 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.2 -51.45 45.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 544' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 8.5 ptm180 -141.78 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.683 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 545' ' ' SER . . . . . 0.509 ' CB ' HD11 ' B' ' 549' ' ' ILE . 35.8 t -142.19 137.91 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 546' ' ' ILE . . . . . 0.479 ' CD1' ' OD1' ' A' ' 237' ' ' ASN . 0.9 OUTLIER -69.1 -43.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -82.86 138.6 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.635 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 548' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.07 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 46.8 mm -79.5 112.75 31.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 550' ' ' PRO . . . . . 0.572 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.8 Cg_exo -46.58 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.867 2.378 . . . . 0.0 112.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.1 p-10 -25.28 145.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -129.91 116.17 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -85.3 -24.75 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.496 ' O ' HD13 ' B' ' 558' ' ' LEU . 64.1 mttp -52.55 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.74 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -57.5 -46.91 83.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.781 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -65.78 -29.7 70.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 554' ' ' LYS . 7.0 mp -77.78 -30.37 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -73.55 -36.37 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.15 -40.56 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.787 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 561' ' ' GLU . . . . . 0.589 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.2 mt-10 -67.87 -61.72 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.7 mt -49.03 -40.7 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.721 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 563' ' ' SER . . . . . 0.78 ' O ' ' N ' ' B' ' 565' ' ' VAL . 65.4 m -61.15 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.723 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.4 pt20 -36.74 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.13 -42.66 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.9 mt -81.5 -35.55 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.27 -19.6 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.58 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -117.53 6.69 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 569' ' ' ARG . . . . . 0.773 ' O ' ' HB2' ' B' ' 570' ' ' GLN . 21.2 ttm180 -161.02 -141.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 570' ' ' GLN . . . . . 0.866 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 50.1 tt0 139.8 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 571' ' ' ILE . . . . . 0.866 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 56.7 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 21.5 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 15.0 m 62.12 5.96 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -49.8 -37.83 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.521 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -69.67 -52.19 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -55.16 -28.91 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -75.62 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 607' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' C' ' 641' ' ' TYR . 38.7 ttp -72.79 -36.81 67.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -56.76 -16.01 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 609' ' ' ALA . . . . . 0.583 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.47 -50.63 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 610' ' ' LEU . . . . . 0.644 ' CD2' HG11 ' C' ' 618' ' ' VAL . 3.8 mt -66.29 1.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 611' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' C' ' 609' ' ' ALA . 7.0 tmtt? -102.08 -66.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 612' ' ' ASN . . . . . 0.65 ' N ' HD22 ' C' ' 612' ' ' ASN . 0.8 OUTLIER -70.36 -4.26 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 613' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.07 21.84 58.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 614' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' C' ' 617' ' ' GLU . 2.6 t70 -63.87 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 110.555 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 615' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' C' ' 613' ' ' GLY . 1.8 pp -44.94 -18.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.584 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 616' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' C' ' 614' ' ' ASP . 5.0 p-10 -77.69 -27.56 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 617' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' C' ' 614' ' ' ASP . 45.7 tp10 -81.55 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.57 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 618' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' C' ' 610' ' ' LEU . 1.9 m -62.88 -28.39 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 619' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 88.4 tttt -66.16 -21.88 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 620' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 34.1 t70 -75.39 -45.44 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.96 -59.15 5.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.75 -27.86 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 623' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.75 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.656 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.78 -76.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.44 0.1 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 80.8 tt0 34.09 95.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 627' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 100.0 m-20 -140.94 62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.639 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 628' ' ' VAL . . . . . 0.511 HG21 ' H ' ' C' ' 658' ' ' GLY . 4.1 m -121.97 76.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 629' ' ' ASN . . . . . 0.402 ' H ' ' H ' ' C' ' 630' ' ' ARG . 65.8 t30 -173.01 5.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.705 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 630' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' C' ' 629' ' ' ASN . 26.8 mmt180 -79.02 166.83 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.535 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 631' ' ' THR . . . . . 0.507 ' O ' ' C ' ' C' ' 632' ' ' LEU . 43.5 p -82.04 87.65 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 632' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' C' ' 631' ' ' THR . 42.1 tp -31.23 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.506 ' OE1' ' NH2' ' C' ' 636' ' ' ARG . 78.0 tt0 -71.69 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.71 -11.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 635' ' ' GLY . . . . . 0.543 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.78 0.18 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 636' ' ' ARG . . . . . 0.506 ' NH2' ' OE1' ' C' ' 633' ' ' GLU . 80.2 mtm180 -127.93 164.88 21.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 637' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.61 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.88 2.387 . . . . 0.0 112.144 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 639' ' ' LEU . . . . . 0.622 HD22 ' OD1' ' C' ' 660' ' ' ASP . 1.1 tp -117.74 -16.3 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 640' ' ' HIS . . . . . 0.542 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 26.9 t-80 -75.29 -43.8 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 641' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' C' ' 607' ' ' MET . 0.9 OUTLIER -71.74 -35.93 70.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 642' ' ' ALA . . . . . 0.679 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.94 -45.0 75.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 643' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' C' ' 651' ' ' LEU . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 644' ' ' ASP . . . . . 0.542 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 88.0 m-20 -60.6 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 645' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 18.9 m -160.88 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 646' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.07 4.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 647' ' ' GLN . . . . . 0.62 ' C ' ' HG ' ' C' ' 648' ' ' LEU . 0.7 OUTLIER 51.71 4.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 110.497 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 648' ' ' LEU . . . . . 0.976 HD13 ' OG ' ' C' ' 682' ' ' SER . 1.2 mt 71.65 6.94 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 649' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' C' ' 653' ' ' PHE . 97.5 mt-10 -115.75 -12.56 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 650' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' C' ' 653' ' ' PHE . 1.3 mm -87.56 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' C' ' 643' ' ' ALA . 1.4 tt -62.29 -52.98 61.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 652' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -56.19 -22.58 30.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 653' ' ' PHE . . . . . 0.974 ' O ' ' N ' ' C' ' 655' ' ' LEU . 4.5 m-85 -75.89 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 654' ' ' LEU . . . . . 0.505 ' N ' HD12 ' C' ' 654' ' ' LEU . 11.0 mp -41.33 6.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.637 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 655' ' ' LEU . . . . . 0.974 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.2 tt -102.97 -47.81 4.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 656' ' ' LEU . . . . . 0.595 ' N ' HD23 ' C' ' 655' ' ' LEU . 5.8 tp -59.32 -25.34 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -72.75 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 658' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.36 -109.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 659' ' ' ALA . . . . . 0.71 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.37 . . . . 0.0 110.578 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 660' ' ' ASP . . . . . 0.622 ' OD1' HD22 ' C' ' 639' ' ' LEU . 0.9 OUTLIER -57.45 10.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 661' ' ' ILE . . . . . 0.71 ' H ' ' C ' ' C' ' 659' ' ' ALA . 13.1 pt -66.0 1.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 662' ' ' ASN . . . . . 1.101 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 25.2 t-20 -163.68 -18.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 663' ' ' ALA . . . . . 0.763 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.11 -33.67 0.28 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 664' ' ' PRO . . . . . 1.101 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 78.6 Cg_exo -46.96 120.82 4.46 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.829 2.353 . . . . 0.0 112.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -125.9 -50.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.81 -16.17 57.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 667' ' ' HIS . . . . . 0.543 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 39.1 m80 -80.46 -6.32 57.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 668' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' C' ' 668' ' ' HIS . 57.2 t-80 40.6 37.31 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.571 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 669' ' ' ILE . . . . . 0.408 HG22 ' O ' ' C' ' 667' ' ' HIS . 5.7 tt -176.93 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 670' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.15 168.7 10.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 671' ' ' PRO . . . . . 0.488 ' HA ' ' OG ' ' C' ' 674' ' ' SER . 44.2 Cg_endo -72.51 -30.47 12.25 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.832 2.354 . . . . 0.0 112.147 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 672' ' ' LEU . . . . . 0.593 ' CD1' ' HB1' ' C' ' 692' ' ' ALA . 8.2 mt -45.39 -49.06 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 673' ' ' LEU . . . . . 1.142 ' O ' ' CG2' ' C' ' 676' ' ' VAL . 43.5 mt -67.87 -27.75 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.585 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 674' ' ' SER . . . . . 0.488 ' OG ' ' HA ' ' C' ' 671' ' ' PRO . 25.0 m -51.83 -40.92 61.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 675' ' ' ALA . . . . . 0.432 ' HB3' ' CG2' ' C' ' 684' ' ' VAL . . . -74.54 -29.96 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.625 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 676' ' ' VAL . . . . . 1.142 ' CG2' ' O ' ' C' ' 673' ' ' LEU . 22.3 m -47.19 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 677' ' ' TYR . . . . . 0.922 ' H ' HG23 ' C' ' 676' ' ' VAL . 39.9 t80 -77.89 39.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -124.5 -28.72 3.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.26 -11.32 72.4 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 2.9 m80 -71.95 -53.57 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.25 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 682' ' ' SER . . . . . 0.976 ' OG ' HD13 ' C' ' 648' ' ' LEU . 0.2 OUTLIER -67.39 -24.31 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -48.63 6.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 684' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' C' ' 675' ' ' ALA . 48.5 t -41.91 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 685' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' C' ' 687' ' ' LEU . 65.6 tttm -62.59 -73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.88 1.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 687' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.7 OUTLIER -81.87 -70.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.598 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.65 -21.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 689' ' ' SER . . . . . 0.417 ' N ' ' C ' ' C' ' 687' ' ' LEU . 38.3 t -55.73 -21.61 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -99.63 -6.27 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.505 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 691' ' ' GLY . . . . . 1.086 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.89 0.42 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 692' ' ' ALA . . . . . 0.593 ' HB1' ' CD1' ' C' ' 672' ' ' LEU . . . 24.17 18.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 693' ' ' ASP . . . . . 1.086 ' N ' ' O ' ' C' ' 691' ' ' GLY . 88.0 m-20 33.2 -128.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -152.44 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.652 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 5.6 m -156.54 73.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 696' ' ' VAL . . . . . 0.559 HG11 HD22 ' C' ' 662' ' ' ASN . 14.6 p -93.47 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -140.17 23.53 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.82 20.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 699' ' ' PRO . . . . . 0.647 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 77.8 Cg_exo -44.85 -27.72 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.824 2.349 . . . . 0.0 112.136 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 700' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 31.1 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 701' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.4 89.13 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.1 tt -53.86 -66.65 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.626 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 81.6 p 16.13 -95.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 704' ' ' ALA . . . . . 0.619 ' HB3' HD23 ' C' ' 717' ' ' LEU . . . -106.64 -18.61 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 705' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.2 tt -62.88 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -80.72 15.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 708' ' ' THR . . . . . 0.627 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.5 m -139.83 -142.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.583 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 709' ' ' ASP . . . . . 0.627 ' H ' HG22 ' C' ' 708' ' ' THR . 24.0 t70 -148.82 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -72.52 151.81 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.56 -20.46 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.38 3.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 713' ' ' ILE . . . . . 0.506 ' O ' HD13 ' C' ' 713' ' ' ILE . 0.3 OUTLIER -69.97 -37.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 714' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' C' ' 713' ' ' ILE . 30.2 ttmt -51.98 -30.01 23.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 716' ' ' LEU . . . . . 1.039 ' O ' ' HB3' ' C' ' 717' ' ' LEU . 1.1 tt -161.13 98.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 717' ' ' LEU . . . . . 1.039 ' HB3' ' O ' ' C' ' 716' ' ' LEU . 0.3 OUTLIER 124.15 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 718' ' ' GLN . . . . . 0.952 ' N ' HD12 ' C' ' 717' ' ' LEU . 11.9 pt20 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.621 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 8' ' ' VAL . 12.7 p -54.11 94.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -45.9 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.9 m-20 -64.91 -33.64 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -60.46 -39.34 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.55 -41.0 84.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.73 -35.89 82.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 10' ' ' ASP . 79.6 t -65.24 -43.79 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HE ' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.51 -39.75 92.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -47.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.448 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.574 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.93 -41.31 91.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.17 -44.9 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.47 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -76.01 8.43 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.1 m80 -123.71 15.34 9.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.5 146.96 81.55 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 12.7 Cg_exo -68.2 167.47 21.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.016 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.89 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.734 2.289 . . . . 0.0 112.12 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.09 21.56 35.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -149.37 37.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.536 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.94 -48.86 27.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.02 -57.38 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 43.9 mp0 -44.46 -54.51 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.0 t -60.79 -42.5 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 89.9 t80 -59.17 -50.88 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.09 -37.89 81.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.646 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.12 -42.05 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 32' ' ' VAL . 85.6 t -67.07 -41.83 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.6 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -56.39 -54.78 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.414 HD22 ' SG ' ' B' ' 308' ' ' CYS . 9.8 mp -59.32 -34.72 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.7 mt -73.27 -49.76 25.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD12 HD22 ' B' ' 331' ' ' LEU . 13.8 tp -61.76 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.475 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 66.4 t30 46.64 49.65 13.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.475 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 71.8 m-20 -168.62 79.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.9 -37.9 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -54.18 -44.16 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.26 -30.89 54.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 38.7 tp -62.68 -38.77 91.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.18 -35.58 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' OE1' HG21 ' A' ' 14' ' ' VAL . 77.1 tt0 -40.89 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.95 48.75 0.91 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -87.15 -56.79 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.614 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.53 87.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -54.26 -37.04 64.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.584 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.49 -54.41 12.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.7 m-30 -46.5 -56.61 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' ALA . 90.4 mm-40 -33.55 -45.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.03 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.0 -30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 81.8 mtp -68.84 -66.59 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.84 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 16.1 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.2 m-30 23.92 44.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.4 m -58.88 111.39 3.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.634 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.65 115.16 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.924 2.416 . . . . 0.0 112.196 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.648 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.8 p -109.39 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.648 ' N ' HG22 ' A' ' 65' ' ' VAL . 52.3 mttp -125.19 104.0 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.662 ' O ' ' C ' ' A' ' 68' ' ' GLU . 49.8 mt -51.63 148.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.662 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.5 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.1 m-85 -137.47 14.73 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.613 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 70' ' ' TYR . 96.9 m-20 20.19 39.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.519 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 1.071 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.4 t0 -98.75 19.45 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.701 ' C ' ' O ' ' A' ' 72' ' ' ASP . 0.9 OUTLIER -0.23 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.071 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.92 173.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.722 ' N ' HG22 ' A' ' 74' ' ' VAL . 54.8 mt -113.37 152.33 30.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -104.08 105.53 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.6 p -130.19 -176.89 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -78.82 -31.29 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -63.98 -23.57 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.18 15.62 50.67 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.46 100.07 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 tp -49.67 -51.5 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.69 25.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -116.14 1.27 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.83 9.33 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.618 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.33 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.562 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.523 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 52.4 m-85 -114.56 -170.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.8 tp -118.24 157.36 27.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.705 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 62.0 t0 -139.32 88.98 12.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.45 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.681 ' O ' ' NH1' ' A' ' 121' ' ' ARG . 11.2 Cg_endo -61.01 -36.64 81.67 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.855 2.37 . . . . 0.0 112.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.47 -75.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.455 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -76.48 -20.35 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 42.2 mttt 62.76 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.509 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 10.6 pt -146.45 154.46 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.819 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.6 t -92.68 133.0 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 30.1 p90 -140.11 136.65 33.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 59.9 tttm -88.7 113.45 24.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.876 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.4 t80 -82.73 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 102' ' ' ARG . 33.1 t0 -104.54 90.12 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -36.41 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.8 tp -47.44 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' A' ' 99' ' ' ASP . 8.9 tpp180 -52.78 156.37 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -88.94 2.31 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.876 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -95.54 -164.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.449 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 2.0 m-20 73.78 54.52 0.28 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.819 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.5 Cg_endo -73.51 -177.83 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.83 2.353 . . . . 0.0 112.068 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.812 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.1 OUTLIER -160.11 124.55 2.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.14 131.03 17.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.832 2.355 . . . . 0.0 112.052 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -122.92 102.51 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.9 p-10 -75.55 88.47 2.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.555 ' OG1' ' NZ ' ' A' ' 118' ' ' LYS . 15.6 p -46.93 164.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.9 35.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.81 -59.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.07 3.35 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.555 ' NZ ' ' OG1' ' A' ' 113' ' ' THR . 37.8 ttmt -54.03 -41.85 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 118' ' ' LYS . 74.0 mt-30 -39.25 -55.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -62.52 -47.64 83.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.844 ' HE ' ' N ' ' A' ' 122' ' ' ASP . 5.6 ttp180 -53.88 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.844 ' N ' ' HE ' ' A' ' 121' ' ' ARG . 66.2 t0 -25.45 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.11 -48.56 61.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.449 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 36.4 t70 -40.46 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -48.03 -46.11 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.498 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.36 -51.44 34.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.507 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.78 -12.24 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.614 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.79 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.65 -39.2 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.579 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 21.0 t80 -54.79 -38.8 67.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 134' ' ' ASP . 97.7 t -74.74 -40.53 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.456 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 28.4 tptt -76.16 25.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.541 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.7 m-20 -147.51 7.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.54 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.622 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 93.5 m-70 -151.01 -21.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.57 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 5.3 m-85 -114.65 106.5 52.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.589 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.8 Cg_exo -51.61 -57.23 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.773 2.315 . . . . 0.0 112.021 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -127.52 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.65 12.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 75' ' ' LEU . 47.2 m-85 -135.06 158.12 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.765 0.317 . . . . 0.0 110.582 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 86.7 m -161.4 97.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.532 HG12 ' HG3' ' A' ' 121' ' ' ARG . 43.1 t -75.72 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.63 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 92.8 m-85 -120.21 124.32 45.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.75 84.5 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.473 ' HG3' ' H ' ' A' ' 147' ' ' SER . 20.5 tptt -123.79 167.31 14.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.512 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.473 ' H ' ' HG3' ' A' ' 146' ' ' LYS . 54.0 p -107.51 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.2 104.13 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 42.4 t0 46.65 54.18 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.77 4.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.73 129.8 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.319 . . . . 0.0 110.684 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.649 ' H ' HG21 ' A' ' 181' ' ' ILE . 82.5 mm-40 -85.76 150.51 24.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.986 HG23 ' C ' ' A' ' 179' ' ' PHE . 87.3 m -155.28 146.22 22.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' A' ' 179' ' ' PHE . 4.8 mp -108.53 110.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.63 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 19.8 mm -98.06 117.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.91 116.09 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.252 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 95.9 m -106.17 135.47 47.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.3 mt -122.76 137.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.213 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.6 tm-20 -131.3 151.91 51.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.029 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.183 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 0.5 OUTLIER -140.63 170.6 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.958 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.5 mm-40 -148.61 77.85 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.248 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -65.4 147.48 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.951 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.637 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 3.1 tp-100 -168.0 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' PRO . . . . . 0.68 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.5 Cg_endo -60.69 -52.12 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.459 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . 0.68 ' N ' ' O ' ' A' ' 165' ' ' PRO . 97.8 m-20 -121.94 -10.46 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.828 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 48.6 m-85 70.04 80.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.828 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 16.1 p-90 158.82 127.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.742 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -136.03 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.361 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 41.4 ttm180 -165.72 136.64 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' TRP . . . . . 0.734 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.0 t-105 -107.55 138.87 42.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.486 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.3 mtm180 -125.35 152.28 44.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -166.31 111.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.033 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.639 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 81.5 tt0 -116.42 124.72 50.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.094 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.663 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.4 m95 -120.57 116.92 26.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -98.62 119.83 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.986 ' C ' HG23 ' A' ' 153' ' ' THR . 35.8 m-85 -117.51 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.71 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.915 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.7 m -50.08 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' ILE . . . . . 0.794 ' O ' HG23 ' A' ' 182' ' ' THR . 9.8 tp -164.31 151.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.661 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.928 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.78 61.45 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 1.072 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 90.3 Cg_exo -34.41 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.82 0 C-N-CA 123.481 2.787 . . . . 0.0 112.661 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . 0.928 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.6 Cg_endo -79.8 -4.32 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.851 2.367 . . . . 0.0 112.144 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' THR . . . . . 1.045 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.32 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.22 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.155 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.79 131.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 1.135 ' O ' HG23 ' A' ' 188' ' ' VAL . 86.9 mt-30 -106.75 -114.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.235 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.135 HG23 ' O ' ' A' ' 187' ' ' GLN . 6.5 t 145.63 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.674 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' ALA . . . . . 0.738 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.83 111.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.365 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 191' ' ' VAL . 2.8 p -165.78 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.507 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' LEU . . . . . 0.531 HD22 ' OE1' ' A' ' 236' ' ' GLU . 18.6 mt -85.53 157.82 20.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -150.37 147.89 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . 0.692 HD11 ' CH2' ' A' ' 173' ' ' TRP . 29.5 mt -149.45 134.05 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.26 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 205' ' ' GLN . 7.3 tt0 -142.32 130.28 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.947 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 47.1 t -132.66 136.66 55.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . 0.764 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 10.7 t-80 -126.55 141.61 51.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.933 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 48.3 t80 -145.58 87.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.4 t80 -100.08 87.74 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' GLU . . . . . 0.797 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.0 tt0 -129.48 52.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.346 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' ASP . . . . . 0.797 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.7 t0 114.8 2.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.422 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.72 -129.12 1.08 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -172.8 99.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.09 129.19 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 3.7 tt0 -136.84 154.15 50.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.8 tt -122.25 87.2 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' VAL . . . . . 0.569 ' CG2' ' NE2' ' A' ' 205' ' ' GLN . 12.2 t -90.1 122.25 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 19.8 m -149.55 147.25 27.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -157.85 145.15 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 51.1 tttp -135.49 129.03 32.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.885 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.1 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.0 tt -127.1 154.89 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -150.2 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.285 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' ASP . . . . . 0.643 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.9 t0 -118.84 166.11 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 1.059 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 70.7 m -117.84 103.41 9.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.429 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' VAL . . . . . 1.155 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 53.2 t -91.93 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.666 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' GLN . . . . . 1.045 ' HA ' ' O ' ' A' ' 185' ' ' THR . 0.0 OUTLIER -102.65 128.05 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' VAL . . . . . 1.076 HG23 ' HB2' ' A' ' 186' ' ' ALA . 75.6 t -86.03 137.56 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 42.7 t -131.03 -99.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.3 t -100.2 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -86.8 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 81.7 t -70.06 -24.7 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -73.97 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.459 HG22 ' CE2' ' A' ' 228' ' ' PHE . 24.9 m -54.63 -36.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.57 -57.08 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -57.11 -30.52 64.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.391 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 231' ' ' ILE . 94.6 mt-10 -67.6 -38.77 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 224' ' ' THR . 14.6 m-85 -67.77 -53.95 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.9 mm -52.13 -27.34 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.387 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -74.87 -36.71 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.326 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 231' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 227' ' ' GLU . 1.3 mp -67.56 -41.17 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 232' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 177' ' ' TRP . 54.0 mt -70.02 -44.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.428 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.08 -46.97 82.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.64 -43.93 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.12 -51.96 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.416 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 236' ' ' GLU . . . . . 0.531 ' OE1' HD22 ' A' ' 192' ' ' LEU . 10.4 tp10 -60.18 -44.13 95.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.437 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 237' ' ' ASN . . . . . 0.44 HD22 ' NH1' ' B' ' 544' ' ' ARG . 5.1 m120 -60.03 -40.22 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.46 -44.39 74.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 240' ' ' GLN . . . . . 0.567 ' NE2' HD11 ' B' ' 546' ' ' ILE . 0.8 OUTLIER -68.23 -38.95 82.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 19.7 m -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.67 71.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 243' ' ' ILE . . . . . 0.405 ' CD1' HD12 ' A' ' 194' ' ' ILE . 50.4 mt -69.16 -47.55 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.69 -34.18 73.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.93 -42.89 84.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 246' ' ' ASN . . . . . 0.701 HD21 ' NZ ' ' B' ' 481' ' ' LYS . 4.2 m120 -62.16 -34.57 76.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 247' ' ' TYR . . . . . 0.539 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.4 OUTLIER -64.94 -31.93 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -73.19 -50.84 20.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 249' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 253' ' ' THR . 16.0 m -64.84 -34.83 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 37.0 mtt -72.83 -14.54 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.9 p -112.94 -10.17 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 252' ' ' ASP . . . . . 0.888 ' O ' ' OG1' ' A' ' 253' ' ' THR . 65.4 t0 -132.09 47.77 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 253' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 29.7 m 175.7 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 254' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 15.1 m -53.57 -61.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -47.69 -57.58 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.14 -11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.531 ' HB2' HH22 ' C' ' 636' ' ' ARG . . . -87.24 -18.24 30.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -78.02 -91.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 259' ' ' ARG . . . . . 0.497 ' HD2' ' CH2' ' B' ' 448' ' ' TRP . 15.0 ptm180 -98.67 174.46 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 260' ' ' ARG . . . . . 0.53 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 11.8 mmm180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -83.73 -11.24 57.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.444 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 262' ' ' LEU . 1.2 pp -163.63 133.26 3.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 263' ' ' PRO . . . . . 0.727 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.3 Cg_exo -43.93 135.45 7.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.88 2.387 . . . . 0.0 112.022 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 264' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 265' ' ' THR . 5.0 m -37.84 -38.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 265' ' ' THR . . . . . 0.466 ' N ' HG23 ' A' ' 264' ' ' VAL . 4.2 m -64.2 -5.41 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 266' ' ' ARG . . . . . 0.68 ' N ' ' O ' ' A' ' 263' ' ' PRO . 68.3 ttt180 54.11 55.59 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.2 t 173.29 114.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.9 mttt -16.86 131.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 269' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 9.8 tt -50.26 158.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.802 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.5 OUTLIER -117.13 58.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 271' ' ' TRP . . . . . 0.592 ' C ' ' O ' ' A' ' 270' ' ' ASP . 80.3 m95 -21.42 -55.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' B' ' 506' ' ' SER . 12.3 m120 -44.52 -25.63 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . 1.241 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 97.9 mttt -99.94 -7.72 24.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.65 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 274' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 274' ' ' ILE . 2.0 mp -103.17 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . 0.724 ' O ' ' CB ' ' A' ' 276' ' ' SER . 74.2 mt -111.1 44.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 276' ' ' SER . . . . . 1.32 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.2 p 141.92 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 1.241 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.2 t80 -30.97 43.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 278' ' ' LYS . . . . . 1.32 ' N ' ' O ' ' A' ' 276' ' ' SER . 35.7 ttmt -107.72 80.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 1.079 ' O ' ' O ' ' A' ' 280' ' ' GLY . 15.9 mm 54.22 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 280' ' ' GLY . . . . . 1.079 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 24.4 pttm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.515 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 302' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 13.2 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -42.81 -51.24 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . 0.508 ' H ' ' CD ' ' B' ' 304' ' ' GLN . 27.3 mp0 -55.34 -34.11 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 305' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 302' ' ' SER . 25.0 mt-30 -60.74 -49.1 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.406 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.26 -40.62 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.93 -40.84 95.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 308' ' ' CYS . . . . . 0.414 ' SG ' HD22 ' A' ' 38' ' ' LEU . 95.9 m -68.09 -37.19 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.389 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 309' ' ' ALA . . . . . 0.716 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.18 -42.12 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' B' ' 315' ' ' ARG . 43.7 t0 -68.27 -33.65 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.79 -43.7 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.421 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.3 mmm -64.39 -25.67 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.3 -12.32 58.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 315' ' ' ARG . . . . . 0.603 HH11 ' HG2' ' B' ' 315' ' ' ARG . 12.0 mmt-85 -100.07 -46.93 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.57 147.7 95.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.6 128.45 21.0 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.783 2.322 . . . . 0.0 112.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 318' ' ' PRO . . . . . 0.484 ' HA ' HG12 ' B' ' 321' ' ' ILE . 42.2 Cg_endo -71.52 -3.98 14.1 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.89 2.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -80.64 -17.84 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -123.89 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 321' ' ' ILE . . . . . 0.484 HG12 ' HA ' ' B' ' 318' ' ' PRO . 4.6 mm -63.4 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.71 -60.84 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.524 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -54.59 -54.42 41.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -54.67 -55.75 26.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 38.3 tp -47.16 -48.95 23.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.43 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.05 -49.72 74.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.444 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.33 -40.75 97.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.459 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' LEU . . . . . 0.716 HD21 ' HB1' ' B' ' 309' ' ' ALA . 52.6 tp -55.52 -41.09 72.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.451 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -41.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.388 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -38.02 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.1 mt -71.22 -29.05 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.58 84.61 9.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.432 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.09 -5.56 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.701 2.267 . . . . 0.0 112.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.37 -6.41 56.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 78.8 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.9 p -64.04 -55.92 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.581 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 10.7 tm-20 -60.28 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.73 -36.13 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.532 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . 0.43 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 66.5 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 33.7 mt -81.51 12.42 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 63.3 p -144.13 -3.65 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.6 m -119.36 -15.49 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.88 120.07 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.456 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -87.83 128.63 35.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.436 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 3.5 pt20 -129.35 165.89 29.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 81.0 Cg_exo -44.41 125.32 5.87 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.829 2.353 . . . . 0.0 112.08 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' LEU . . . . . 0.479 HD21 HD11 ' B' ' 451' ' ' ILE . 95.4 mt -66.8 122.54 17.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -88.62 148.79 23.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.389 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.2 tt -102.96 136.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' ALA . . . . . 0.729 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.62 157.64 33.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.485 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -114.31 143.32 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 56.3 t0 -111.93 81.36 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.1 mttp -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.609 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 94.5 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.5 t -92.98 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.7 70.54 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 45.0 mmtm -115.11 154.91 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 358' ' ' ASP . . . . . 0.729 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 35.8 p30 -94.77 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.623 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 31.3 p90 -139.68 135.75 33.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.2 156.63 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.1 mt -108.55 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 362' ' ' CYS . . . . . 0.876 ' H ' HD21 ' B' ' 365' ' ' ASN . 26.6 p -168.2 168.59 11.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 363' ' ' ASP . . . . . 0.644 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.4 -10.35 59.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 364' ' ' TYR . . . . . 0.483 ' HB2' HG11 ' B' ' 431' ' ' VAL . 96.0 m-85 -88.38 -18.17 28.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 365' ' ' ASN . . . . . 0.876 HD21 ' H ' ' B' ' 362' ' ' CYS . 0.1 OUTLIER -123.22 24.73 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 366' ' ' ARG . . . . . 0.564 HH22 HD22 ' B' ' 340' ' ' LEU . 46.8 ttp180 -119.99 129.83 54.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.15 99.47 6.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -126.27 8.69 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 370' ' ' SER . . . . . 1.006 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 82.5 p -122.33 161.32 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 371' ' ' TYR . . . . . 1.103 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 1.6 m-85 -118.3 150.78 38.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -98.77 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 373' ' ' SER . . . . . 0.586 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 98.6 p -79.57 133.8 58.87 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 374' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 3.3 Cg_exo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.848 2.365 . . . . 0.0 112.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -85.94 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 31.3 t -83.15 -18.63 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 377' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' B' ' 373' ' ' SER . 55.5 t30 70.28 40.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -141.53 137.92 32.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 379' ' ' TYR . . . . . 1.103 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.1 OUTLIER -65.77 140.41 58.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 380' ' ' ASP . . . . . 0.767 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.95 -60.41 6.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 381' ' ' PRO . . . . . 1.006 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.48 120.04 7.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 123.022 2.482 . . . . 0.0 112.299 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -41.56 79.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.949 2.433 . . . . 0.0 112.308 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.778 ' HB3' ' CE1' ' B' ' 379' ' ' TYR . 1.1 tp -84.56 177.59 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.97 65.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 386' ' ' GLY . . . . . 0.76 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.21 151.75 47.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -64.01 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.796 0.331 . . . . 0.0 110.555 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -132.26 148.58 70.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.98 150.75 49.31 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.782 2.321 . . . . 0.0 112.15 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.71 142.93 17.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.6 -43.79 5.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -67.9 -37.77 82.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.93 -42.47 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -55.32 -36.8 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.47 -46.65 85.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.337 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.38 -31.99 73.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.328 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -67.77 -38.07 82.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.372 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.06 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.397 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.74 -36.96 79.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.358 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.84 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 58.4 m-80 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 402' ' ' ASN . . . . . 0.456 ' O ' ' NE2' ' B' ' 406' ' ' GLN . 27.8 t-20 -72.13 -40.4 68.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.36 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.99 78.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.387 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.27 -29.25 67.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 405' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 32.8 m-20 -54.64 -38.81 67.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 406' ' ' GLN . . . . . 0.578 ' O ' HD13 ' B' ' 410' ' ' LEU . 1.0 OUTLIER -77.04 -32.92 57.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -69.76 -18.61 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 408' ' ' ARG . . . . . 0.574 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.1 ttp180 -83.81 -35.54 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 409' ' ' ASP . . . . . 0.542 ' OD2' ' NZ ' ' C' ' 604' ' ' LYS . 16.8 t70 -85.18 -8.9 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 410' ' ' LEU . . . . . 0.679 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 4.8 mp -95.83 -17.88 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.571 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 411' ' ' TYR . . . . . 0.727 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.01 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.55 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 73.1 m-85 -100.65 -25.92 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 413' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.9 mt-10 63.5 24.39 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.51 25.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 415' ' ' GLY . . . . . 0.574 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.37 -163.48 52.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 416' ' ' VAL . . . . . 0.479 ' HA ' HH11 ' B' ' 408' ' ' ARG . 20.9 t -128.64 153.72 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 37.7 t -143.58 148.52 36.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.2 t -148.17 143.95 27.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.87 130.25 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.545 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 53.8 t80 -128.48 132.47 48.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.313 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.68 158.35 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.749 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 422' ' ' TRP . . . . . 0.936 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.9 p-90 -154.45 110.6 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -43.06 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 424' ' ' LEU . . . . . 0.467 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 2.6 tp -127.86 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 425' ' ' ASP . . . . . 0.467 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 64.4 t0 -87.32 -49.85 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -129.79 30.77 4.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.62 2.56 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.72 154.07 4.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.741 0.305 . . . . 0.0 110.577 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 429' ' ' ALA . . . . . 0.936 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -123.97 172.83 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 430' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.64 34.99 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 431' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.04 126.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.32 113.69 40.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' B' ' 450' ' ' SER . 46.5 mt -102.83 143.14 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 434' ' ' ILE . . . . . 0.592 ' HB ' ' HB3' ' B' ' 450' ' ' SER . 30.4 mt -148.73 119.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -122.51 127.55 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 436' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.18 119.58 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.88 138.2 40.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.13 179.48 45.29 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -50.68 128.03 19.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 110.557 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.6 9.76 75.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 441' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' C' ' 677' ' ' TYR . 3.7 p -110.43 -4.24 15.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.576 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -89.25 153.89 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 443' ' ' LYS . . . . . 0.615 ' H ' ' CD ' ' B' ' 443' ' ' LYS . 7.1 mptt -56.89 -43.84 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 65.1 mt -95.07 135.92 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.752 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.75 154.75 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.7 152.45 24.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.1 m -149.51 130.7 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 448' ' ' TRP . . . . . 0.543 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.6 t-105 -114.83 116.26 28.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -109.54 127.18 54.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 450' ' ' SER . . . . . 0.592 ' HB3' ' HB ' ' B' ' 434' ' ' ILE . 0.6 OUTLIER -115.93 122.74 46.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 451' ' ' ILE . . . . . 0.479 HD11 HD21 ' B' ' 347' ' ' LEU . 51.3 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.206 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 452' ' ' HIS . . . . . 0.534 ' NE2' ' OE2' ' B' ' 521' ' ' GLU . 1.4 m170 -108.63 132.41 53.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.862 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.69 95.59 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.281 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.7 p -96.65 153.6 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -131.83 102.23 5.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.312 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 456' ' ' VAL . . . . . 0.429 HG22 ' CE2' ' B' ' 467' ' ' TYR . 61.4 t -79.08 139.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -123.51 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.476 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 458' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 84.2 tt0 -40.3 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.664 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 459' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' B' ' 464' ' ' THR . 52.6 mttp -109.33 141.97 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -48.99 -54.14 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 54.3 p -126.75 146.54 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 462' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.08 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 59.15 -0.17 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.542 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 464' ' ' THR . . . . . 0.599 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 0.2 OUTLIER -82.29 123.68 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.419 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 465' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.75 151.86 33.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.9 126.58 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 467' ' ' TYR . . . . . 0.429 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.6 m-85 -103.17 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -135.84 86.1 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.186 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 469' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' B' ' 470' ' ' THR . 0.5 OUTLIER -82.09 157.54 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.505 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 470' ' ' THR . . . . . 0.401 ' H ' ' HG ' ' B' ' 469' ' ' LEU . 19.1 m -157.86 62.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.06 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.3 p -64.61 174.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.152 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 472' ' ' THR . . . . . 0.479 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.76 87.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.151 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 473' ' ' VAL . . . . . 0.47 HG11 ' CH2' ' B' ' 448' ' ' TRP . 88.3 t -69.74 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 474' ' ' MET . . . . . 0.452 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 3.0 ttt -124.74 96.02 4.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.13 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 475' ' ' LEU . . . . . 0.732 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.9 OUTLIER -86.69 131.12 34.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.594 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 476' ' ' TRP . . . . . 0.732 ' N ' HD23 ' B' ' 475' ' ' LEU . 3.6 t-105 -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.254 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.3 mt -137.3 124.67 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 478' ' ' GLN . . . . . 0.516 ' NE2' ' OD1' ' B' ' 488' ' ' ASN . 49.7 tt0 -138.2 158.17 44.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.471 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 479' ' ' THR . . . . . 0.508 HG23 ' O ' ' B' ' 479' ' ' THR . 10.5 t -163.46 127.43 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.643 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 480' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.21 73.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 9.1 mtmp? -107.58 146.67 31.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 482' ' ' THR . . . . . 0.549 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.5 m -57.29 -45.95 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.69 -25.22 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' N ' ' B' ' 486' ' ' THR . 7.5 t -125.97 14.91 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.547 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 486' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.1 m -126.1 113.96 17.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.47 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 487' ' ' MET . . . . . 0.421 ' HB3' HG22 ' B' ' 479' ' ' THR . 6.0 ttp -125.12 118.04 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 488' ' ' ASN . . . . . 0.516 ' OD1' ' NE2' ' B' ' 478' ' ' GLN . 60.6 m-80 -118.95 123.98 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 489' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.8 tp -131.67 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.44 -163.82 21.76 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 491' ' ' GLY . . . . . 0.635 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.88 -142.61 11.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 492' ' ' SER . . . . . 0.635 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 76.4 p 163.2 135.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.52 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 493' ' ' LEU . . . . . 0.545 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 494' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 58.1 m -127.1 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.504 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -150.02 128.72 12.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.82 160.56 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 26.6 ttt -160.06 130.48 5.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.617 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -133.54 141.59 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -172.21 145.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 500' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 45.2 p-10 -91.26 125.21 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -120.71 160.16 23.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.6 m -94.27 131.84 39.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.64 122.45 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -142.97 -177.27 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.94 -35.8 77.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 506' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 272' ' ' ASN . 78.1 p -83.69 -19.79 34.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 17.8 t -135.5 73.42 62.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.56 -172.57 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.807 2.338 . . . . 0.0 112.145 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -58.81 -62.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 71.4 mt -42.75 -48.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.18 72.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -48.18 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.01 -33.65 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.55 74.27 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -57.36 -44.33 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.75 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.14 -52.53 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.623 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 517' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' B' ' 521' ' ' GLU . 60.8 t -55.47 -47.24 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -57.89 -51.72 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -63.47 -37.54 87.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 2.3 tpt -64.39 -49.43 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 521' ' ' GLU . . . . . 0.534 ' OE2' ' NE2' ' B' ' 452' ' ' HIS . 1.7 mp0 -62.58 -45.27 93.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.713 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.92 -41.44 78.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.75 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.45 -24.37 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 525' ' ' ARG . . . . . 0.529 ' HG2' HH11 ' B' ' 525' ' ' ARG . 33.6 ttt-85 -68.72 -27.67 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -84.97 -38.74 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 73.1 p -66.06 -35.82 81.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 528' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 63.1 mt -64.94 -42.31 94.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.71 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.57 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.8 mt-10 -74.4 -54.4 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.644 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.43 -61.47 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 532' ' ' TYR . . . . . 0.686 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.9 m-85 -50.29 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 533' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.8 40.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.559 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 535' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' B' ' 536' ' ' THR . 0.8 OUTLIER -56.89 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 110.503 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.647 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 43.7 p -34.77 -57.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -50.44 -53.23 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -53.2 -44.93 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 539' ' ' ILE . . . . . 0.619 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 33.7 mm -61.73 -36.04 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.44 -42.01 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -69.76 -17.13 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.34 48.01 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.6 mt -68.13 -51.4 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.475 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 544' ' ' ARG . . . . . 0.796 ' HG2' ' H ' ' B' ' 545' ' ' SER . 2.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.652 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 545' ' ' SER . . . . . 0.796 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 38.5 t -142.18 137.86 31.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 546' ' ' ILE . . . . . 0.567 HD11 ' NE2' ' A' ' 240' ' ' GLN . 97.4 mt -69.1 -43.48 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -82.91 138.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 548' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.46 122.13 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.52 112.73 31.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.3 Cg_exo -46.61 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.852 2.368 . . . . 0.0 112.071 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.6 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 552' ' ' ASN . . . . . 0.44 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 10.2 p30 -129.91 116.19 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -85.27 -24.8 27.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.697 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.57 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -45.15 -56.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -57.55 -46.9 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.757 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.87 -29.64 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 60.0 tp -77.78 -30.37 51.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -73.5 -36.39 65.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' B' ' 560' ' ' ARG . 57.9 ttt-85 -58.21 -40.55 81.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 561' ' ' GLU . . . . . 0.552 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.0 mm-40 -67.79 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.727 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.897 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 58.9 tp -49.1 -40.69 33.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 68.0 m -61.18 -76.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 12.5 pt20 -36.68 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.897 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 18.1 t -72.12 -42.68 67.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.2 tp -81.46 -35.59 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 24.7 m -70.26 -19.62 63.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -117.53 6.65 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.98 -141.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.483 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 570' ' ' GLN . . . . . 0.872 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 5.3 tt0 139.82 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 571' ' ' ILE . . . . . 0.872 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 55.6 mt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 79.0 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.3 m 62.12 5.94 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -49.86 -37.76 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 604' ' ' LYS . . . . . 0.542 ' NZ ' ' OD2' ' B' ' 409' ' ' ASP . 79.0 tttt -69.71 -52.23 27.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -55.07 -28.91 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -75.68 -53.61 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 607' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' C' ' 607' ' ' MET . 6.8 tmm? -72.82 -36.82 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -56.75 -16.04 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.606 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 609' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.39 -50.67 13.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.639 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 610' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' C' ' 610' ' ' LEU . 4.0 mt -66.28 1.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 611' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.3 tttm -102.07 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -70.36 -4.27 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 613' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.04 21.85 58.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 614' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.8 m-20 -63.83 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 615' ' ' LEU . . . . . 0.94 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.8 tm? -44.99 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 616' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' C' ' 614' ' ' ASP . 62.5 m-20 -77.75 -27.51 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 617' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.52 -49.85 10.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 618' ' ' VAL . . . . . 0.604 HG21 HD22 ' C' ' 654' ' ' LEU . 10.7 p -62.81 -28.42 44.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 619' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.3 tttp -66.22 -21.88 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 620' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.0 t0 -75.33 -45.39 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 14.6 t -57.73 -27.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 623' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.75 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -64.82 -76.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 625' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.9 82.37 0.1 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 626' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.9 pt-20 34.23 95.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 627' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 96.9 m-20 -140.98 62.66 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.654 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 628' ' ' VAL . . . . . 0.52 HG21 ' H ' ' C' ' 658' ' ' GLY . 3.3 m -121.94 76.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.536 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 629' ' ' ASN . . . . . 0.426 ' H ' ' H ' ' C' ' 630' ' ' ARG . 35.8 t30 -173.0 5.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 630' ' ' ARG . . . . . 0.664 HH11 ' CG ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.09 166.85 21.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 631' ' ' THR . . . . . 0.504 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.2 OUTLIER -82.03 87.64 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 632' ' ' LEU . . . . . 0.504 ' C ' ' O ' ' C' ' 631' ' ' THR . 43.8 tp -31.32 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.527 ' OE2' ' NH1' ' A' ' 260' ' ' ARG . 11.6 tp10 -71.7 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.68 -11.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 635' ' ' GLY . . . . . 0.523 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.47 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 636' ' ' ARG . . . . . 0.635 HH21 ' CG2' ' A' ' 253' ' ' THR . 99.1 mtt180 -127.92 164.9 21.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 637' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' C' ' 639' ' ' LEU . 11.3 mmtp -108.41 156.99 37.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 638' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 57.0 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.805 2.337 . . . . 0.0 112.136 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 639' ' ' LEU . . . . . 0.555 HD11 HD13 ' C' ' 655' ' ' LEU . 0.6 OUTLIER -117.68 -16.31 10.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -75.23 -43.87 49.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.64 -36.03 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.92 -44.92 75.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.47 62.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD1' ' OE2' ' C' ' 678' ' ' GLU . 4.8 t70 -60.64 -35.7 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 645' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 38.5 t -160.87 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.02 34.11 4.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 647' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 88.0 mt-30 51.66 4.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.523 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 648' ' ' LEU . . . . . 0.944 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.57 7.02 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -115.8 -12.54 11.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 650' ' ' ILE . . . . . 0.553 ' CG2' HD21 ' C' ' 654' ' ' LEU . 1.0 OUTLIER -87.58 -36.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.599 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 1.082 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.33 -52.93 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 652' ' ' GLU . . . . . 0.785 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 56.8 mm-40 -56.13 -22.61 29.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 653' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.0 OUTLIER -75.88 -97.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 654' ' ' LEU . . . . . 0.851 HD23 ' H ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.38 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 655' ' ' LEU . . . . . 0.98 ' N ' ' O ' ' C' ' 653' ' ' PHE . 57.9 tp -102.93 -47.91 4.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.22 -25.37 63.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.82 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 658' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.38 -109.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 659' ' ' ALA . . . . . 0.713 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.1 33.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.524 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 660' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.8 m-20 -57.36 10.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 661' ' ' ILE . . . . . 0.713 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.8 tt -65.98 1.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 662' ' ' ASN . . . . . 1.1 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.3 m-20 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.13 -33.65 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 664' ' ' PRO . . . . . 1.1 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.7 Cg_exo -46.93 120.82 4.44 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.889 2.393 . . . . 0.0 112.14 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -125.88 -50.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -78.84 -16.13 57.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 667' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.4 m80 -80.53 -6.23 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 40.52 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 669' ' ' ILE . . . . . 0.445 HG22 ' O ' ' C' ' 667' ' ' HIS . 10.7 tt -176.86 147.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 670' ' ' THR . . . . . 0.407 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.7 10.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 671' ' ' PRO . . . . . 0.494 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.48 -30.52 12.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.824 2.349 . . . . 0.0 112.122 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 672' ' ' LEU . . . . . 0.744 HD23 ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.39 -49.01 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 673' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 15.8 mt -67.87 -27.85 67.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 674' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 17.2 p -51.76 -40.87 61.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.517 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 675' ' ' ALA . . . . . 0.42 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.54 -30.07 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 676' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 10.8 t -47.17 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 677' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' B' ' 441' ' ' SER . 0.3 OUTLIER -77.83 39.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 678' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' C' ' 644' ' ' ASP . 37.0 tp10 -124.52 -28.65 3.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.21 -11.33 72.37 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 19.3 m170 -71.94 -53.51 12.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 681' ' ' VAL . . . . . 0.775 ' O ' HG22 ' C' ' 684' ' ' VAL . 9.2 m 43.27 -4.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.628 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.42 -24.26 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -48.67 6.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 684' ' ' VAL . . . . . 0.775 HG22 ' O ' ' C' ' 681' ' ' VAL . 4.0 m -41.91 -34.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 685' ' ' LYS . . . . . 0.826 ' O ' HD12 ' C' ' 688' ' ' LEU . 63.8 tttm -62.56 -73.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 686' ' ' LEU . . . . . 0.502 ' N ' HD22 ' C' ' 686' ' ' LEU . 4.4 mm? -62.95 1.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 687' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' C' ' 685' ' ' LYS . 28.8 tp -81.9 -70.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 688' ' ' LEU . . . . . 1.337 HD13 ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.72 -21.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.512 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 689' ' ' SER . . . . . 1.337 ' N ' HD13 ' C' ' 688' ' ' LEU . 6.6 m -55.75 -21.54 19.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.604 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -99.62 -6.27 27.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 692' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.0 t0 33.11 -128.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -152.52 -23.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 28.8 m -156.57 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.593 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.41 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -140.13 23.53 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.67 142.77 20.36 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 699' ' ' PRO . . . . . 0.71 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.82 -27.75 2.59 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.815 2.343 . . . . 0.0 112.155 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 700' ' ' ASP . . . . . 0.71 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 31.2 m-20 157.74 -112.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 701' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.76 0.33 89.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 702' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.5 tt -53.89 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 703' ' ' THR . . . . . 0.885 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 92.5 m 16.26 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 704' ' ' ALA . . . . . 0.549 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 705' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.7 tp -62.88 -75.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.74 15.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 707' ' ' ALA . . . . . 0.885 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.44 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 708' ' ' THR . . . . . 0.604 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.4 m -139.83 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.62 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 709' ' ' ASP . . . . . 0.604 ' H ' HG22 ' C' ' 708' ' ' THR . 53.2 p-10 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.562 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -72.55 151.89 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -71.62 -20.46 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.23 -60.36 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -37.62 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -52.09 -29.93 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.16 14.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 716' ' ' LEU . . . . . 0.842 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.0 98.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 717' ' ' LEU . . . . . 0.842 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 19.0 mt 124.19 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 718' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' C' ' 717' ' ' LEU . 3.4 mt-30 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 8' ' ' VAL . 9.3 p -54.09 94.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -45.87 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.618 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' VAL . 97.9 m-20 -64.93 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.46 -39.27 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.0 mt-10 -67.6 -40.97 84.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.626 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -63.69 -35.84 81.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.4 t -65.29 -43.82 95.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.502 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.409 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.3 mtm180 -61.44 -39.78 92.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.734 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.37 -47.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.95 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.92 -41.34 91.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.16 -44.91 87.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.68 -46.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.9 p -75.97 8.44 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.74 15.34 9.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.99 81.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.5 Cg_endo -68.25 167.52 21.86 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.814 2.343 . . . . 0.0 112.08 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 48.4 Cg_endo -70.92 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.743 2.295 . . . . 0.0 112.093 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.12 21.49 35.47 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 42.1 mt-10 -149.34 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.87 -48.91 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.0 -57.43 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 44.1 mp0 -44.47 -54.44 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.1 t -60.86 -42.38 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 36.6 t80 -59.3 -50.82 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.05 -37.93 81.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.1 -42.05 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' VAL . 92.2 t -67.1 -41.81 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -56.36 -54.82 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -34.73 72.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.25 -49.75 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 tp -61.75 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 46.62 49.73 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 27.9 t-20 -168.7 79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -51.85 -37.92 53.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -54.18 -44.21 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.2 mt -77.25 -30.81 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.6 tp -62.77 -38.75 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.19 -35.54 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -40.9 -59.82 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.89 48.67 0.92 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.18 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.47 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.33 -36.94 64.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.37 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.54 -56.58 5.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.65 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.2 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.04 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -46.96 -30.91 2.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.3 ttp -68.92 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.534 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.4 p30 -67.84 10.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.9 mm-40 -124.61 24.75 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.91 44.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.49 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.2 m -58.81 111.35 3.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.603 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -75.73 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.858 2.372 . . . . 0.0 112.178 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.616 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.7 p -109.41 165.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.616 ' N ' HG22 ' A' ' 65' ' ' VAL . 87.1 tttt -125.14 103.95 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.9 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.641 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.9 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.1 tm-20 -13.21 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.584 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.52 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.09 0.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.787 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.48 14.77 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 70' ' ' TYR . 48.5 t0 20.13 39.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 1.059 ' O ' ' N ' ' A' ' 74' ' ' VAL . 30.8 t70 -98.83 19.37 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 71.6 mm-40 -0.19 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.059 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.718 ' N ' HG22 ' A' ' 74' ' ' VAL . 46.9 mt -113.35 152.26 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.3 mt -104.04 105.49 18.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 p -130.13 -176.88 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.82 -31.25 45.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' ' 155' ' ' ILE . 96.1 m-70 -63.95 -23.62 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.63 50.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -85.45 100.04 11.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 110.599 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.2 tp -49.64 -51.51 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.72 25.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.13 -15.73 9.37 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.672 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.4 168.73 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.372 . . . . 0.0 110.537 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 53.5 m-85 -114.54 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.856 HD23 ' H ' ' A' ' 89' ' ' ASP . 0.5 OUTLIER -118.28 157.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.856 ' H ' HD23 ' A' ' 88' ' ' LEU . 19.0 t0 -139.3 89.01 12.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.505 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.0 Cg_endo -60.97 -36.73 81.5 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.916 2.41 . . . . 0.0 111.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.582 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 6.1 ttp180 -59.47 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.664 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.6 t-20 -76.51 -20.38 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.1 mtmp? 62.78 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.661 HD13 ' OD1' ' A' ' 92' ' ' ASN . 23.6 pt -146.43 154.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.83 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.9 t -92.62 133.01 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.71 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 39.4 p90 -140.15 136.62 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.68 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 33.7 ttpt -88.66 113.39 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.896 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.4 t80 -82.68 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.52 ' O ' ' O ' ' A' ' 102' ' ' ARG . 8.8 t70 -104.51 90.14 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.472 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.38 -67.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt -47.48 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.74 156.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -88.88 2.26 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.531 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.23 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.836 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 60.4 m -95.58 -164.12 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.858 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.74 54.49 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.83 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.49 -177.75 3.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.818 2.346 . . . . 0.0 112.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.2 tt0 -160.19 124.58 2.09 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.523 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.15 131.04 17.4 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.816 2.344 . . . . 0.0 112.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 10.0 tm-20 -122.91 102.46 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -75.51 88.41 2.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.5 p -46.93 164.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.05 -30.07 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.646 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.91 35.63 1.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.3 tp -104.18 3.38 32.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.514 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.848 ' HZ2' HH21 ' A' ' 121' ' ' ARG . 10.7 mmpt? -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' LYS . 99.2 mm-40 -39.22 -55.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -62.58 -47.6 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.848 HH21 ' HZ2' ' A' ' 118' ' ' LYS . 5.3 tmm_? -53.83 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.576 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.5 m-20 -25.41 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.18 0.46 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.6 m -51.08 -48.58 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.43 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.41 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 37.0 m -47.97 -46.2 32.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.442 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.42 34.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.76 -12.32 60.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.638 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.38 -32.72 74.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.604 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.69 -39.24 24.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.55 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.4 t80 -54.78 -38.8 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 134' ' ' ASP . 87.7 t -74.73 -40.54 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.446 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.7 mttt -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.0 m-20 -147.58 7.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.702 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.9 m80 -151.07 -21.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.3 m-85 -114.67 106.48 52.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.459 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.0 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.775 2.316 . . . . 0.0 112.09 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.53 50.07 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.64 12.62 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.6 ' HB2' HD21 ' A' ' 75' ' ' LEU . 59.0 m-85 -135.08 158.17 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.599 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.34 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 89.8 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.505 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.0 t -75.73 143.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.559 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.3 m-85 -120.21 124.27 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.568 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.61 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -123.85 167.36 14.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.7 t -107.55 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.598 HG22 ' OD2' ' A' ' 149' ' ' ASP . 13.0 mt -91.17 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.601 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.59 54.23 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.9 -62.81 4.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -53.75 129.8 34.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.649 ' H ' HG21 ' A' ' 181' ' ' ILE . 75.3 mt-30 -85.73 150.47 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.396 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.699 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.16 22.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.46 110.0 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.44 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.1 117.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.88 116.05 27.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 89.8 m -106.12 135.43 47.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.76 137.72 55.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.527 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.35 151.92 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.747 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.679 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.7 p-80 -140.64 170.6 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.5 mm-40 -148.61 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.199 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.679 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.4 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.006 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.97 66.14 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.75 -52.09 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.791 2.328 . . . . 0.0 112.109 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 97.6 m-20 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.84 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 52.7 m-85 70.09 80.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.84 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 18.8 p-90 158.81 127.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.339 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.15 29.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.586 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.5 ttp180 -165.73 136.69 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.331 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' TRP . . . . . 0.747 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.3 t-105 -107.6 138.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.51 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.6 mtm180 -125.37 152.25 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.167 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.29 111.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.646 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.4 tt0 -116.39 124.73 50.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.119 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.7 m95 -120.63 116.91 26.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.91 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -98.63 119.78 37.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.353 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.699 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.0 m-85 -117.48 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.672 ' O ' ' O ' ' A' ' 179' ' ' PHE . 16.8 p -50.07 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' ILE . . . . . 0.817 ' O ' HG23 ' A' ' 182' ' ' THR . 9.7 tp -164.27 151.34 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.7 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.937 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.5 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 1.041 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 82.4 Cg_exo -34.44 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.823 0 C-N-CA 123.438 2.759 . . . . 0.0 112.669 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . 0.937 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 69.0 Cg_endo -79.87 -4.23 13.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.841 2.361 . . . . 0.0 112.15 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' THR . . . . . 1.077 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.28 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.158 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.76 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 1.031 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 0.8 OUTLIER -106.72 -115.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.8 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' ALA . . . . . 0.759 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.85 111.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.39 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.79 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -150.35 147.79 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.778 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . 0.555 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 64.9 mt -149.42 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.264 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -142.33 130.24 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.707 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 48.0 t -132.64 136.65 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . 0.779 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 21.6 t-160 -126.55 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.953 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.57 87.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.784 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.9 p90 -100.08 87.76 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' GLU . . . . . 0.805 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.2 tt0 -129.46 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.317 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' ASP . . . . . 0.805 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 89.3 m-20 114.8 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.382 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.63 -129.14 1.09 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -172.84 99.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.08 129.17 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' GLN . . . . . 0.707 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 81.5 mt-30 -136.77 154.12 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.9 tt -122.28 87.21 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.9 t -90.07 122.27 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 33.0 t -149.64 147.23 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 209' ' ' HIS . 14.8 p80 -157.86 145.13 18.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.165 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -135.48 129.08 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' ' 191' ' ' VAL . 64.4 m-20 -103.6 129.87 50.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.22 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 213' ' ' GLN . 96.7 mt -127.15 154.88 37.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 0.0 110.982 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' GLN . . . . . 0.448 ' N ' HG22 ' A' ' 212' ' ' ILE . 52.6 tt0 -150.2 102.69 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.322 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' ASP . . . . . 0.65 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 99.7 m-20 -118.88 166.09 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.681 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 1.031 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 23.5 p -117.84 103.39 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' VAL . . . . . 1.158 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.88 165.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.661 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' GLN . . . . . 1.077 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.4 pt20 -102.64 128.03 49.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' VAL . . . . . 1.068 HG23 ' HB2' ' A' ' 186' ' ' ALA . 67.5 t -85.99 137.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.619 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.974 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.5 t -130.99 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.28 -163.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 21.4 p-10 -86.81 -62.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.471 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 98.2 t -70.05 -24.7 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -74.0 -56.72 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.974 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.0 p -54.6 -36.9 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.517 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.14 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -57.06 -30.55 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -67.61 -38.78 84.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 216' ' ' VAL . 38.3 m-85 -67.72 -54.01 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.354 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.12 -27.36 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -74.83 -36.75 62.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 231' ' ' ILE . . . . . 0.431 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.8 mt -67.48 -41.21 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.454 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 232' ' ' ILE . . . . . 0.46 HG23 ' CE2' ' A' ' 177' ' ' TRP . 53.9 mt -70.09 -44.42 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -57.11 -46.98 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.474 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.98 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -60.15 -44.16 95.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 237' ' ' ASN . . . . . 0.605 ' O ' HG23 ' A' ' 241' ' ' THR . 92.6 m-20 -59.98 -40.19 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.85 -34.32 73.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.492 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.5 -44.41 74.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -68.17 -38.95 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 241' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 237' ' ' ASN . 19.0 p -61.53 -45.74 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.73 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.553 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.6 mm -69.18 -47.51 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.67 -34.23 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.83 -42.98 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 246' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 250' ' ' MET . 24.1 t-20 -62.07 -34.68 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 247' ' ' TYR . . . . . 0.595 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.89 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . 0.579 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 12.5 tp60 -73.21 -50.94 19.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 249' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.0 m -64.7 -34.85 79.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.1 ptp -72.87 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.3 p -112.95 -10.13 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 252' ' ' ASP . . . . . 0.802 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 2.7 p30 -132.06 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 253' ' ' THR . . . . . 0.61 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 3.9 m 175.74 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 254' ' ' THR . . . . . 0.572 ' N ' HG22 ' A' ' 253' ' ' THR . 6.8 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -47.63 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -64.15 -11.85 34.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.23 -18.19 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.01 -91.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.616 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 259' ' ' ARG . . . . . 0.855 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.7 ttt180 -98.64 174.41 6.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 260' ' ' ARG . . . . . 0.855 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 18.4 mmm180 -109.19 153.2 24.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 261' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 53.4 tt0 -83.66 -11.22 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.66 133.22 3.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 263' ' ' PRO . . . . . 0.716 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 75.8 Cg_exo -43.92 135.38 7.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.869 2.38 . . . . 0.0 112.109 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 264' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 265' ' ' THR . 6.1 m -37.74 -39.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 265' ' ' THR . . . . . 0.485 ' O ' HG22 ' A' ' 267' ' ' THR . 33.9 p -64.15 -5.46 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 266' ' ' ARG . . . . . 0.679 ' N ' ' O ' ' A' ' 263' ' ' PRO . 4.7 ttm180 54.13 55.61 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.7 mttt -16.73 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.614 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 269' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 270' ' ' ASP . 95.9 mt -50.3 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.538 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.809 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.3 m-20 -117.09 58.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 271' ' ' TRP . . . . . 0.607 ' C ' ' O ' ' A' ' 270' ' ' ASP . 82.0 m95 -21.5 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.9 t-20 -44.54 -25.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . 1.214 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 0.8 OUTLIER -99.92 -7.73 24.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.657 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 274' ' ' ILE . . . . . 0.592 ' N ' ' O ' ' A' ' 271' ' ' TRP . 8.0 mm -103.21 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . 0.719 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.2 mt -111.18 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 276' ' ' SER . . . . . 1.31 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.94 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 1.214 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 75.3 t80 -30.92 43.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 278' ' ' LYS . . . . . 1.31 ' N ' ' O ' ' A' ' 276' ' ' SER . 31.6 mtmm -107.64 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.562 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.5 mt 54.18 3.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.1 0.0 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 51.8 tttp . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.509 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 302' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 34.6 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -42.77 -51.23 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -55.35 -34.12 63.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.472 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 305' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.68 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.435 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 46.9 tp -57.25 -40.57 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.01 -40.79 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.6 m -68.1 -37.17 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.24 -42.11 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.349 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.36 -38.35 84.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . 0.405 ' OD1' ' NE ' ' B' ' 315' ' ' ARG . 47.1 t0 -68.29 -33.65 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.82 -43.75 74.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.1 mmm -64.36 -25.63 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 315' ' ' ARG . . . . . 0.588 HH11 ' HG2' ' B' ' 315' ' ' ARG . 51.0 mtt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.64 147.75 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.65 128.42 21.08 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.825 2.35 . . . . 0.0 112.04 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 318' ' ' PRO . . . . . 0.422 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.0 Cg_endo -71.48 -4.02 14.17 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.846 2.364 . . . . 0.0 112.061 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . 0.418 ' HG2' ' H ' ' B' ' 319' ' ' GLN . 5.6 pt20 -80.59 -17.81 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -123.91 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 321' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' B' ' 318' ' ' PRO . 85.7 mt -63.33 -40.88 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.75 -60.76 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.67 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.66 -55.75 26.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.5 tp -47.18 -48.92 23.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.447 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.1 t -57.13 -49.69 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.393 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.33 -40.73 97.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.479 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 61.3 tp -55.55 -41.06 72.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.485 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -41.21 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -57.81 -37.95 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.22 -29.08 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.59 84.62 9.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.1 -5.57 15.08 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.082 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 97.4 p -89.37 -6.4 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 88.9 mt -119.03 20.87 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.632 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' CYS . . . . . 0.442 ' SG ' HD11 ' B' ' 340' ' ' LEU . 12.0 t -64.11 -55.86 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.41 -50.34 73.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.77 -36.18 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . 0.47 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 72.8 mt -79.05 -28.67 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' LEU . . . . . 0.638 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 39.3 mt -81.47 12.42 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.0 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.4 p -119.41 -15.53 9.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 89.4 t -105.83 120.06 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -87.86 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.5 OUTLIER -129.32 165.91 29.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.483 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.44 125.24 5.85 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.829 2.353 . . . . 0.0 112.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.73 122.53 17.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.67 148.81 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.1 pt -102.98 136.37 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.715 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' ALA . . . . . 0.725 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.66 33.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -114.33 143.39 44.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.971 ' O ' ' N ' ' B' ' 356' ' ' GLY . 61.9 t0 -111.98 81.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 67.0 mmtt -37.28 -62.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' B' ' 353' ' ' LYS . 98.0 t -39.54 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.594 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.3 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.603 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . 0.971 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.67 70.63 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.03 154.89 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.619 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 358' ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.3 m-20 -94.77 143.03 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' HB1' ' B' ' 350' ' ' ALA . 29.9 p90 -139.62 135.75 33.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.15 156.63 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.481 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.2 mt -108.6 158.56 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 362' ' ' CYS . . . . . 0.597 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.5 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 363' ' ' ASP . . . . . 0.638 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.0 t70 -75.48 -10.32 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 364' ' ' TYR . . . . . 0.449 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 38.5 m-85 -88.38 -18.22 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 365' ' ' ASN . . . . . 0.597 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 35.8 p-10 -123.21 24.76 8.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 366' ' ' ARG . . . . . 0.503 HH22 HD13 ' B' ' 340' ' ' LEU . 31.0 ttp180 -119.92 129.85 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -122.2 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.73 1.75 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.26 8.65 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.573 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 370' ' ' SER . . . . . 1.142 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.6 p -122.36 161.36 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 371' ' ' TYR . . . . . 1.119 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 83.6 m-85 -118.3 150.83 38.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . 0.616 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.5 ttp180 -98.82 124.71 43.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 373' ' ' SER . . . . . 0.599 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.2 t -79.56 133.8 58.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.773 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.91 -14.81 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.863 2.375 . . . . 0.0 112.197 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -85.87 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.641 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.5 p -83.17 -18.58 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 377' ' ' ASN . . . . . 0.599 ' HA ' ' O ' ' B' ' 373' ' ' SER . 19.5 t30 70.18 40.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.578 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -141.57 137.88 32.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 379' ' ' TYR . . . . . 1.119 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 46.0 m-85 -65.7 140.41 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 380' ' ' ASP . . . . . 0.77 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.4 6.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.379 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 381' ' ' PRO . . . . . 1.142 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.4 Cg_exo -65.47 120.05 7.19 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.973 2.448 . . . . 0.0 112.317 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -41.55 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.968 2.446 . . . . 0.0 112.279 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.684 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.47 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . 0.581 ' H ' HD23 ' B' ' 383' ' ' LEU . 97.6 mt-10 -111.64 -72.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.07 66.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.491 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 387' ' ' ALA . . . . . 0.6 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -64.0 127.25 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.27 148.58 70.3 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 389' ' ' PRO . . . . . 0.456 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.8 Cg_endo -72.94 150.75 49.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.775 2.317 . . . . 0.0 112.146 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 95.5 p -52.72 142.89 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.76 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -67.85 -37.88 82.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -55.3 -36.85 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.5 -46.56 85.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.323 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.47 -31.89 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.323 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 397' ' ' GLU . . . . . 0.616 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.6 tt0 -67.81 -38.01 82.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.403 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.14 -40.32 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -36.98 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.93 94.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 401' ' ' ASN . . . . . 0.433 ' O ' ' OD2' ' B' ' 405' ' ' ASP . 57.6 m-80 -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.374 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -72.19 -40.34 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.362 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.99 78.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.26 -29.25 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.441 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 405' ' ' ASP . . . . . 0.483 ' O ' ' NH1' ' B' ' 408' ' ' ARG . 15.3 m-20 -54.6 -38.85 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 406' ' ' GLN . . . . . 0.418 ' O ' HD12 ' B' ' 410' ' ' LEU . 78.6 mt-30 -77.11 -32.86 56.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 407' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 0.1 OUTLIER -69.76 -18.6 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 408' ' ' ARG . . . . . 0.53 ' HA ' ' HD2' ' B' ' 412' ' ' PHE . 6.4 ptt-85 -83.85 -35.51 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.533 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 409' ' ' ASP . . . . . 0.463 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 32.4 t70 -85.14 -8.98 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 410' ' ' LEU . . . . . 0.679 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 32.4 mt -95.85 -17.88 20.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 411' ' ' TYR . . . . . 0.716 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.516 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.797 ' CD1' ' HG3' ' B' ' 436' ' ' LYS . 74.3 m-85 -100.61 -25.89 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 413' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 99.6 mt-10 63.47 24.38 14.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.606 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.73 -154.44 25.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 415' ' ' GLY . . . . . 0.8 ' HA3' ' HD3' ' B' ' 436' ' ' LYS . . . 76.32 -163.48 53.0 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.3 t -128.65 153.78 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.48 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 80.0 p -143.65 148.49 35.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.1 m -148.2 143.91 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.369 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.79 130.23 58.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.535 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.9 m-85 -128.46 132.39 48.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.334 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 8.8 mt -119.61 158.44 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 422' ' ' TRP . . . . . 0.969 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.9 p90 -154.52 110.58 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.51 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -43.04 159.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 424' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.6 mt -127.91 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 425' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 41.8 m-20 -87.31 -49.88 6.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.76 30.7 4.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.66 2.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -170.7 154.08 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 429' ' ' ALA . . . . . 0.969 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.99 172.83 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 430' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.69 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 431' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 9.8 p -130.09 126.36 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.52 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.29 113.68 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' B' ' 450' ' ' SER . 53.3 mt -102.87 143.16 32.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 434' ' ' ILE . . . . . 0.589 HG23 ' HZ3' ' B' ' 436' ' ' LYS . 0.3 OUTLIER -148.72 119.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 435' ' ' LYS . . . . . 0.639 ' O ' ' HD3' ' B' ' 436' ' ' LYS . 49.3 tttp -122.56 127.53 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 436' ' ' LYS . . . . . 0.8 ' HD3' ' HA3' ' B' ' 415' ' ' GLY . 8.6 mmtm -137.2 119.6 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.14 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.04 179.49 45.03 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -50.71 128.06 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.504 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.63 9.74 76.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 74.1 m -110.4 -4.22 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -89.23 153.89 20.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -56.91 -43.77 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.64 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 444' ' ' ILE . . . . . 0.43 HD12 ' ND2' ' A' ' 246' ' ' ASN . 14.7 tt -95.11 135.96 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -105.79 154.69 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.43 130.68 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.225 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 448' ' ' TRP . . . . . 0.554 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.3 t-105 -114.83 116.22 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 449' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.44 127.23 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.275 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 450' ' ' SER . . . . . 0.464 ' HB2' ' HB ' ' B' ' 434' ' ' ILE . 0.5 OUTLIER -115.96 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.911 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 95.5 mt -127.89 100.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.192 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 452' ' ' HIS . . . . . 0.498 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 2.6 m-70 -108.66 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.68 95.64 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.271 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 454' ' ' VAL . . . . . 0.431 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.4 p -96.74 153.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 455' ' ' GLU . . . . . 0.431 ' N ' HG22 ' B' ' 454' ' ' VAL . 96.3 mt-10 -131.83 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.339 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.9 t -79.03 139.69 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -123.54 68.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 458' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.0 mt-10 -40.33 146.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.588 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 459' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.5 mmtp -109.39 142.02 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -49.04 -54.12 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 35.1 p -126.73 146.55 50.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 462' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.76 48.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 59.11 -0.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.697 0.284 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 464' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 15.0 t -82.29 123.64 29.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 466' ' ' HIS . . . . . 0.528 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.5 t-160 -92.89 126.56 38.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.365 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -103.21 139.45 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.933 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -135.84 86.09 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.211 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 469' ' ' LEU . . . . . 0.782 HD12 ' H ' ' B' ' 470' ' ' THR . 28.4 tp -82.11 157.57 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 470' ' ' THR . . . . . 0.782 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.8 m -157.84 62.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.049 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 16.1 m -64.68 174.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 472' ' ' THR . . . . . 0.508 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.5 m -168.77 87.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.129 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 473' ' ' VAL . . . . . 0.415 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 91.7 t -69.66 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 474' ' ' MET . . . . . 0.439 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 11.6 mtp -124.81 95.95 4.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.167 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 475' ' ' LEU . . . . . 0.523 HD23 ' CE2' ' B' ' 532' ' ' TYR . 4.6 tp -86.59 131.14 34.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -125.29 130.32 51.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.226 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -137.41 124.59 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.937 0.398 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 478' ' ' GLN . . . . . 0.611 ' HG3' ' N ' ' B' ' 479' ' ' THR . 4.4 tp-100 -138.14 158.14 44.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.414 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 479' ' ' THR . . . . . 0.611 ' N ' ' HG3' ' B' ' 478' ' ' GLN . 1.7 t -163.42 127.46 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.666 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 480' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 48.0 p30 -108.22 73.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 64.0 tttp -107.62 146.65 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 61.7 p -57.26 -46.01 83.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.64 -25.28 68.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' C ' ' B' ' 485' ' ' GLY . 6.3 t -125.86 14.81 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 110.629 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 486' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.2 m -126.01 114.0 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 487' ' ' MET . . . . . 0.483 ' O ' ' OE1' ' B' ' 478' ' ' GLN . 2.6 tmm? -125.11 118.1 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 488' ' ' ASN . . . . . 0.475 ' HB2' HE22 ' B' ' 478' ' ' GLN . 0.5 OUTLIER -119.01 123.99 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 489' ' ' LEU . . . . . 0.536 HD11 ' OH ' ' A' ' 247' ' ' TYR . 1.2 tt -131.68 76.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.84 21.78 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 491' ' ' GLY . . . . . 0.629 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.89 -142.68 11.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 492' ' ' SER . . . . . 0.629 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.6 p 163.26 135.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.54 149.46 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 494' ' ' THR . . . . . 0.508 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.6 m -127.14 142.91 51.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -150.0 128.74 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -92.87 160.51 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 12.3 ttp -160.06 130.46 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.671 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.55 141.64 47.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.25 145.84 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 500' ' ' ASP . . . . . 0.528 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.4 m-20 -91.28 125.23 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.484 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -120.7 160.12 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.4 m -94.2 131.83 39.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.63 122.43 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.653 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.86 -35.84 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.7 -19.82 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 6.8 t -135.52 73.48 62.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.596 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.53 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.763 2.309 . . . . 0.0 112.161 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.77 -62.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.5 mt -42.71 -49.11 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.24 71.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.93 -48.22 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.6 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.75 -46.56 74.11 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.33 -44.39 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.71 0.291 . . . . 0.0 110.699 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.15 -52.51 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.47 -47.21 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.82 -51.79 68.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.48 -37.56 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 37.5 tpp -64.31 -49.41 71.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.62 -45.24 93.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.721 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 522' ' ' ASN . . . . . 0.422 ' ND2' ' OH ' ' B' ' 411' ' ' TYR . 12.8 m120 -56.93 -41.46 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.62 -38.46 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.45 -24.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 525' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' B' ' 525' ' ' ARG . 50.6 ttt-85 -68.7 -27.7 66.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 37.2 t -85.01 -38.69 18.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 14.4 m -66.04 -35.79 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 528' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 47.2 mt -64.93 -42.41 94.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.58 -31.27 70.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 530' ' ' GLU . . . . . 0.969 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.5 mt-10 -74.35 -54.48 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.39 -61.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 532' ' ' TYR . . . . . 0.687 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 14.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 533' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . 0.969 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.07 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 535' ' ' LYS . . . . . 0.52 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.2 tptm -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.687 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 67.1 p -34.8 -58.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.34 -53.27 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -53.2 -44.97 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 539' ' ' ILE . . . . . 0.447 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 94.4 mt -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.48 -41.95 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.77 -17.2 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.33 48.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.459 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 14.6 mt -68.1 -51.4 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 110.446 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 544' ' ' ARG . . . . . 0.733 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.78 170.12 16.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 545' ' ' SER . . . . . 0.733 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 36.1 t -142.2 137.9 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.19 -43.47 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -82.94 138.6 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 548' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.09 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 83.3 mt -79.51 112.69 30.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.558 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 550' ' ' PRO . . . . . 0.574 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.2 Cg_exo -46.51 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.846 2.364 . . . . 0.0 112.091 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.574 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.0 p-10 -25.25 145.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -129.87 116.16 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.26 -24.81 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.48 ' O ' HD13 ' B' ' 558' ' ' LEU . 44.2 mmtm -52.52 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.67 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -57.53 -46.9 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.751 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.88 -29.63 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . 0.48 HD13 ' O ' ' B' ' 554' ' ' LYS . 6.9 mp -77.84 -30.34 51.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -73.57 -36.32 65.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.23 -40.51 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.792 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 561' ' ' GLU . . . . . 0.595 ' O ' HG23 ' B' ' 565' ' ' VAL . 76.4 mt-10 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.887 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.9 mt -49.06 -40.76 32.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.656 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 563' ' ' SER . . . . . 0.795 ' O ' ' N ' ' B' ' 565' ' ' VAL . 60.7 m -61.15 -76.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.5 pt20 -36.67 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.887 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.6 t -72.09 -42.73 67.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.7 mt -81.42 -35.58 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 567' ' ' THR . . . . . 0.426 ' H ' HG23 ' B' ' 567' ' ' THR . 4.4 p -70.37 -19.51 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -117.56 6.6 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.3 ttt180 -160.98 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 570' ' ' GLN . . . . . 0.901 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.7 tt0 139.81 128.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.672 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 571' ' ' ILE . . . . . 0.901 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 54.1 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 601' ' ' MET . . . . . 0.733 ' O ' ' SG ' ' C' ' 602' ' ' CYS . 76.4 mmm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 602' ' ' CYS . . . . . 0.733 ' SG ' ' O ' ' C' ' 601' ' ' MET . 1.0 OUTLIER 62.19 5.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -49.83 -37.8 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 604' ' ' LYS . . . . . 0.531 ' NZ ' ' CE ' ' C' ' 607' ' ' MET . 0.0 OUTLIER -69.69 -52.25 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -55.11 -28.89 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 606' ' ' PHE . . . . . 0.66 ' CD2' ' SG ' ' C' ' 602' ' ' CYS . 0.9 OUTLIER -75.73 -53.59 8.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 607' ' ' MET . . . . . 0.531 ' CE ' ' NZ ' ' C' ' 604' ' ' LYS . 43.8 ttp -72.78 -36.83 67.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -56.8 -16.0 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 609' ' ' ALA . . . . . 0.571 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.4 -50.7 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.595 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 610' ' ' LEU . . . . . 0.735 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.6 mp -66.26 2.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 611' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' C' ' 609' ' ' ALA . 17.7 tptm -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -70.38 -4.24 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 613' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.89 58.44 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 614' ' ' ASP . . . . . 0.473 ' C ' ' N ' ' C' ' 616' ' ' ASP . 6.5 m-20 -63.84 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.568 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 615' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.3 pp -44.97 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' C ' ' C' ' 614' ' ' ASP . 65.8 t0 -77.76 -27.46 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 617' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' C' ' 614' ' ' ASP . 21.0 tp10 -81.54 -49.88 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 618' ' ' VAL . . . . . 0.666 ' O ' ' CD2' ' C' ' 621' ' ' TYR . 2.3 m -62.86 -28.36 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.556 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 619' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.9 tttm -66.18 -21.89 66.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 620' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 93.1 m-20 -75.37 -45.38 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 621' ' ' TYR . . . . . 0.954 ' OH ' HG22 ' C' ' 628' ' ' VAL . 0.1 OUTLIER -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 622' ' ' VAL . . . . . 0.887 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.2 p -57.73 -27.85 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 623' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.74 -16.76 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -64.75 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.42 0.1 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.5 mt-10 34.24 95.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -141.03 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 628' ' ' VAL . . . . . 0.954 HG22 ' OH ' ' C' ' 621' ' ' TYR . 1.6 t -121.97 76.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -173.09 5.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 631' ' ' THR . . . . . 0.485 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.11 87.67 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 632' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' C' ' 631' ' ' THR . 48.1 tp -31.35 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.513 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 71.7 mm-40 -71.67 -76.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 634' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 635' ' ' GLY . . . -153.71 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 635' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 634' ' ' GLY . . . -163.43 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 636' ' ' ARG . . . . . 0.599 HH21 ' CD2' ' C' ' 640' ' ' HIS . 67.3 mtp180 -127.88 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 637' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.7 mptp? -108.38 157.01 37.56 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 638' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.3 Cg_endo -73.7 25.01 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.874 2.383 . . . . 0.0 112.103 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 639' ' ' LEU . . . . . 0.536 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.74 -16.36 10.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 640' ' ' HIS . . . . . 0.599 ' CD2' HH21 ' C' ' 636' ' ' ARG . 21.9 t60 -75.22 -43.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 641' ' ' TYR . . . . . 0.495 ' OH ' ' NH1' ' C' ' 636' ' ' ARG . 66.0 m-85 -71.67 -36.0 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.464 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 642' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.99 75.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 643' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' C' ' 651' ' ' LEU . . . -69.05 -48.47 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.526 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 644' ' ' ASP . . . . . 0.498 ' OD2' ' OE2' ' C' ' 678' ' ' GLU . 2.9 t0 -60.6 -35.73 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.495 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 645' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 34.9 t -160.89 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.587 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 646' ' ' GLY . . . . . 0.681 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.01 34.13 4.46 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 647' ' ' GLN . . . . . 0.566 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 35.9 tt0 51.67 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.815 0.341 . . . . 0.0 110.577 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 648' ' ' LEU . . . . . 0.888 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.57 7.0 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 649' ' ' GLU . . . . . 0.404 ' C ' HD12 ' C' ' 650' ' ' ILE . 98.1 mt-10 -115.76 -12.64 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 650' ' ' ILE . . . . . 0.637 ' N ' HD12 ' C' ' 650' ' ' ILE . 1.2 mp -87.56 -36.13 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' C' ' 648' ' ' LEU . 0.2 OUTLIER -62.33 -52.91 61.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 652' ' ' GLU . . . . . 0.71 ' N ' HD12 ' C' ' 651' ' ' LEU . 12.1 pt-20 -56.21 -22.6 30.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.489 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 653' ' ' PHE . . . . . 0.972 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.2 t80 -75.81 -97.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 654' ' ' LEU . . . . . 0.502 ' N ' HD23 ' C' ' 654' ' ' LEU . 0.3 OUTLIER -41.39 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 655' ' ' LEU . . . . . 0.972 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.94 -47.89 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.26 -25.43 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.532 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 658' ' ' GLY . . . . . 0.599 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.35 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 659' ' ' ALA . . . . . 0.702 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.592 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 660' ' ' ASP . . . . . 0.529 ' HB2' HD12 ' C' ' 639' ' ' LEU . 18.0 m-20 -57.39 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 661' ' ' ILE . . . . . 0.702 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.8 tp -66.01 1.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 662' ' ' ASN . . . . . 1.098 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.6 m-20 -163.66 -18.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 663' ' ' ALA . . . . . 0.777 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.62 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 0.0 110.592 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 664' ' ' PRO . . . . . 1.098 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 76.4 Cg_exo -46.98 120.79 4.45 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.866 2.377 . . . . 0.0 112.18 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -125.85 -50.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 666' ' ' LYS . . . . . 0.402 ' CD ' ' N ' ' C' ' 666' ' ' LYS . 1.6 mptm? -78.84 -16.11 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 667' ' ' HIS . . . . . 0.497 ' O ' HG22 ' C' ' 669' ' ' ILE . 7.1 t-160 -80.49 -6.3 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.534 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 669' ' ' ILE . . . . . 0.497 HG22 ' O ' ' C' ' 667' ' ' HIS . 16.5 tt -176.88 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 670' ' ' THR . . . . . 0.405 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.21 168.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 671' ' ' PRO . . . . . 0.415 ' HG3' HD13 ' C' ' 639' ' ' LEU . 53.7 Cg_endo -72.48 -30.5 12.27 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.889 2.393 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 672' ' ' LEU . . . . . 0.774 HD12 HG13 ' C' ' 684' ' ' VAL . 0.4 OUTLIER -45.39 -49.09 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 673' ' ' LEU . . . . . 0.622 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.77 66.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 674' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.1 t -51.81 -40.91 61.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 675' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.52 -29.97 61.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 676' ' ' VAL . . . . . 0.622 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 17.9 t -47.19 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.78 39.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 678' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 62.3 mm-40 -124.47 -28.63 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.34 72.35 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 680' ' ' HIS . . . . . 0.895 ' O ' ' N ' ' C' ' 682' ' ' SER . 64.6 m80 -71.94 -53.53 12.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.29 -5.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 682' ' ' SER . . . . . 0.895 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.3 t -67.39 -24.24 65.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.618 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 683' ' ' CYS . . . . . 0.699 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 9.6 p -90.96 -48.71 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 684' ' ' VAL . . . . . 0.774 HG13 HD12 ' C' ' 672' ' ' LEU . 92.2 t -41.82 -34.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 685' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' C' ' 687' ' ' LEU . 99.0 mttt -62.49 -73.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 686' ' ' LEU . . . . . 0.552 ' N ' HD22 ' C' ' 686' ' ' LEU . 3.8 mm? -62.93 1.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 687' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.9 -70.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 688' ' ' LEU . . . . . 0.432 ' N ' HD12 ' C' ' 688' ' ' LEU . 10.8 mp -45.65 -21.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 689' ' ' SER . . . . . 0.428 ' N ' ' C ' ' C' ' 687' ' ' LEU . 13.2 m -55.72 -21.64 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -99.57 -6.31 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 691' ' ' GLY . . . . . 1.08 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.75 -74.92 0.42 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 692' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.22 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.636 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 693' ' ' ASP . . . . . 1.08 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.6 OUTLIER 33.06 -128.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -152.56 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.56 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 696' ' ' VAL . . . . . 0.442 HG22 ' OD2' ' C' ' 693' ' ' ASP . 5.5 t -93.43 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 697' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' C' ' 664' ' ' PRO . 0.4 OUTLIER -140.13 23.51 2.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.79 20.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 699' ' ' PRO . . . . . 0.642 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 74.8 Cg_exo -44.84 -27.68 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.162 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 700' ' ' ASP . . . . . 0.642 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.7 t70 157.69 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.85 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 702' ' ' LEU . . . . . 0.652 ' O ' ' C ' ' C' ' 703' ' ' THR . 2.9 tt -53.84 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 703' ' ' THR . . . . . 0.887 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 11.4 p 16.22 -95.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 704' ' ' ALA . . . . . 0.513 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.59 -18.67 13.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 705' ' ' LEU . . . . . 0.571 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 0.2 OUTLIER -62.82 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.76 15.2 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 707' ' ' ALA . . . . . 0.887 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 65.1 p -139.83 -142.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -148.78 -4.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -72.59 151.87 42.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -71.61 -20.43 61.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.33 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.683 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 713' ' ' ILE . . . . . 0.502 ' O ' HD21 ' C' ' 716' ' ' LEU . 7.8 mt -70.05 -37.67 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -52.04 -29.95 23.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.25 14.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 716' ' ' LEU . . . . . 0.845 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.3 OUTLIER -161.04 98.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.556 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 717' ' ' LEU . . . . . 0.845 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 12.9 mt 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 718' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 40.9 tt0 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 7' ' ' ARG . 56.9 ttt-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.8 p -54.07 94.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -45.94 162.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.607 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 14' ' ' VAL . 99.9 m-20 -64.92 -33.61 76.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -39.35 87.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.6 mt-10 -67.5 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -63.72 -35.88 82.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.5 t -65.33 -43.71 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.417 HH21 ' HG2' ' A' ' 12' ' ' GLU . 72.0 mtm180 -61.56 -39.75 92.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.722 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.38 -47.4 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.496 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.69 75.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.87 -41.36 91.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.15 -44.83 87.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.667 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.69 -46.44 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.2 p -76.06 8.49 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.77 15.35 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.91 81.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.13 167.48 21.75 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.843 2.362 . . . . 0.0 112.061 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.92 116.26 4.6 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.725 2.283 . . . . 0.0 112.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.11 21.48 35.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 41.3 mt-10 -149.33 37.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 0.0 110.551 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -73.95 -48.89 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.03 -57.42 12.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 39.9 mp0 -44.43 -54.43 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.548 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 36' ' ' VAL . 54.5 t -60.79 -42.57 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 37.0 t80 -59.16 -50.83 72.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.672 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -60.08 -37.93 81.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.09 -42.04 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 32' ' ' VAL . 94.3 t -67.07 -41.86 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.38 -54.82 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.2 mm? -59.32 -34.79 72.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.8 mt -73.17 -49.79 26.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.74 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.3 t30 46.61 49.72 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.545 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 29.0 t-20 -168.68 79.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -51.95 -37.82 54.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.21 -44.17 71.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.545 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 95.8 mt -77.25 -30.88 54.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.1 tp -62.69 -38.79 91.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.13 -35.55 80.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.649 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -40.97 -59.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.16 -56.8 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.47 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.36 -36.96 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.4 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.475 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.6 -56.57 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.564 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 69.0 tp60 -33.63 -45.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 91.4 t80 -60.0 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -46.91 -30.97 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' GLN . 82.4 mtp -68.84 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 57' ' ' TYR . 6.8 p-10 -67.9 10.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.617 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.4 mm100 -124.52 24.73 7.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.86 44.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.8 m -58.85 111.33 3.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.69 115.22 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.87 2.38 . . . . 0.0 112.22 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG22 ' N ' ' A' ' 66' ' ' LYS . 11.5 p -109.37 165.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.635 ' N ' HG22 ' A' ' 65' ' ' VAL . 60.1 tttm -125.19 103.96 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.885 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.639 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.885 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -77.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.08 0.32 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.44 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.598 ' C ' ' O ' ' A' ' 70' ' ' TYR . 65.7 t0 20.22 39.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 1.069 ' O ' ' N ' ' A' ' 74' ' ' VAL . 54.1 t0 -98.72 19.37 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.7 ' C ' ' O ' ' A' ' 72' ' ' ASP . 16.1 mm100 -0.2 50.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.069 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p -63.86 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.725 ' N ' HG22 ' A' ' 74' ' ' VAL . 57.3 mt -113.39 152.31 30.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.02 105.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.13 -176.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -78.82 -31.28 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -64.01 -23.56 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.65 50.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.46 99.92 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.627 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 86' ' ' ARG . 55.3 tp -49.62 -51.48 37.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.14 -0.73 25.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -116.11 1.26 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.19 -15.74 9.34 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.66 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.68 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.52 -170.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 62.0 mt -118.35 157.35 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.707 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 21.4 t0 -139.35 89.04 12.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.0 -36.65 81.72 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' A' ' 141' ' ' CYS . 86.4 mtt180 -59.46 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.477 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.664 ' OD1' HD13 ' A' ' 94' ' ' ILE . 2.7 t-20 -76.5 -20.37 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.513 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.707 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.2 mtmp? 62.73 62.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.664 HD13 ' OD1' ' A' ' 92' ' ' ASN . 24.5 pt -146.47 154.45 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.823 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 3.9 t -92.69 133.05 36.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.698 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.3 p90 -140.14 136.63 33.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 62.0 tttm -88.68 113.42 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.583 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.861 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.2 t80 -82.72 133.11 35.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.534 ' OD2' ' NE ' ' A' ' 102' ' ' ARG . 17.4 t0 -104.54 90.11 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.48 -67.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.4 mt -47.44 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 99' ' ' ASP . 85.6 mtm180 -52.76 156.3 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -88.84 2.24 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.19 150.22 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.861 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.824 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 66.6 m -95.56 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.854 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.78 54.5 0.28 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.823 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.0 Cg_endo -73.47 -177.84 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.879 2.386 . . . . 0.0 112.068 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 3.5 mt-30 -160.1 124.55 2.11 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.11 130.95 17.1 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.07 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -122.87 102.47 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -75.47 88.41 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.7 p -46.87 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.537 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -76.1 -30.07 58.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.86 35.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.73 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 34.6 tp -104.14 3.35 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 119' ' ' GLN . 4.5 mmtm -54.01 -41.88 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 76.0 mt-30 -39.19 -55.98 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.534 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -62.59 -47.55 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.0 tmm_? -53.89 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.7 m-20 -25.39 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.52 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.2 m -51.12 -48.55 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.443 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.4 t0 -40.4 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.0 m -47.93 -46.25 31.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.29 -51.42 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.81 -12.3 60.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.669 ' NH2' ' NZ ' ' A' ' 133' ' ' LYS . 27.4 ttt-85 -66.41 -32.7 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.67 -39.3 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.549 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.9 t80 -54.74 -38.81 67.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' A' ' 134' ' ' ASP . 86.1 t -74.68 -40.55 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.669 ' NZ ' ' NH2' ' A' ' 129' ' ' ARG . 95.1 mttt -76.2 26.03 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.532 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 79.7 m-20 -147.57 7.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.696 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 70.2 m80 -150.99 -21.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.7 m-85 -114.72 106.44 52.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.463 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.54 -57.27 2.29 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.82 2.347 . . . . 0.0 112.027 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -127.5 50.08 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.87 163.54 12.63 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 75' ' ' LEU . 50.3 m-85 -135.03 158.21 44.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.595 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -129.57 162.32 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 89.6 m -161.44 97.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.59 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 41.9 t -75.77 143.48 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.4 m-85 -120.25 124.33 45.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.81 84.51 0.37 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -123.77 167.32 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 t -107.53 115.38 30.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.586 HG22 ' OD2' ' A' ' 149' ' ' ASP . 12.4 mt -91.19 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.607 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.61 54.22 9.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.87 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -53.74 129.78 34.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.665 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.646 ' H ' HG21 ' A' ' 181' ' ' ILE . 78.8 mt-30 -85.8 150.5 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.378 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.711 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.18 22.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.48 109.95 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.445 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.3 mt -98.06 117.03 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.84 116.06 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.243 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 74.0 m -106.12 135.44 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.8 mt -122.81 137.74 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.218 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.517 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.33 151.9 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.739 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.91 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.209 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.667 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.67 170.63 15.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.951 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.1 mm-40 -148.63 77.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.191 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.667 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.38 147.43 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.475 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.0 OUTLIER -167.97 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.341 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.6 Cg_endo -60.64 -52.16 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.818 2.345 . . . . 0.0 112.13 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.87 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.465 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 11.4 m120 -121.95 -10.46 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.822 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.5 m-85 70.01 80.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.822 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.6 p-90 158.72 127.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.754 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -135.97 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.87 163.12 29.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.617 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 27.9 ttp180 -165.74 136.67 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.351 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' TRP . . . . . 0.739 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.6 t-105 -107.62 138.89 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.509 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 54.7 mtm180 -125.36 152.27 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.233 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.31 111.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.099 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.629 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 79.9 tt0 -116.35 124.66 50.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.3 m95 -120.59 116.95 26.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.927 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -98.63 119.85 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.373 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.711 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.5 m-85 -117.49 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.375 . . . . 0.0 110.794 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 18.0 p -50.09 -130.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' ILE . . . . . 0.83 ' O ' HG23 ' A' ' 182' ' ' THR . 9.9 tp -164.32 151.35 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.911 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.42 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.452 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 1.069 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.8 Cg_exo -34.34 12.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.838 0 C-N-CA 123.46 2.774 . . . . 0.0 112.679 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . 0.911 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.9 Cg_endo -79.86 -4.29 13.3 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.826 2.351 . . . . 0.0 112.136 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' THR . . . . . 1.082 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.263 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.181 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.93 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.943 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 1.047 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.5 mt-30 -106.76 -115.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.241 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' ALA . . . . . 0.76 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.429 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.71 115.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.535 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.6 157.84 20.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -150.36 147.82 28.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 68.6 mt -149.46 134.07 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.226 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.35 130.23 21.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.711 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.62 136.66 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.171 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . 0.759 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.53 141.58 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.961 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 44.7 t80 -145.58 87.13 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.772 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.7 p90 -100.06 87.76 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' GLU . . . . . 0.798 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.3 tt0 -129.43 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.292 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' ASP . . . . . 0.798 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.8 m-20 114.82 2.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.65 -129.08 1.08 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.6 t30 -172.84 99.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.1 t -127.06 129.14 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.519 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' GLN . . . . . 0.711 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.7 mt-30 -136.74 154.21 50.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 21.3 tp -122.31 87.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.7 t -90.06 122.19 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 23.3 t -149.56 147.25 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.957 0.408 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' HIS . . . . . 0.47 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 34.5 p80 -157.86 145.1 18.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.229 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -135.43 129.04 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.924 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 191' ' ' VAL . 65.7 m-20 -103.57 129.82 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.241 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 213' ' ' GLN . 95.9 mt -127.19 154.85 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' GLN . . . . . 0.448 ' N ' HG22 ' A' ' 212' ' ' ILE . 58.6 tt0 -150.15 102.64 3.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.377 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' ASP . . . . . 0.651 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.7 t0 -118.89 166.1 13.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.685 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 1.047 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 25.7 p -117.8 103.4 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' VAL . . . . . 1.181 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.95 165.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' GLN . . . . . 1.082 ' HA ' ' O ' ' A' ' 185' ' ' THR . 8.0 pt20 -102.62 128.05 49.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' VAL . . . . . 1.131 HG23 ' HB2' ' A' ' 186' ' ' ALA . 65.1 t -86.03 137.53 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.634 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.959 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.05 -99.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 224' ' ' THR . 0.2 OUTLIER -100.25 -163.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.5 p-10 -86.87 -62.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.492 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 97.9 t -70.13 -24.67 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 226' ' ' LYS . 36.4 mt-30 -73.98 -56.73 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.52 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.959 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.2 p -54.68 -36.87 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.07 14.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' LYS . . . . . 0.568 ' HG3' ' N ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -57.07 -30.56 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.412 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.568 ' N ' ' HG3' ' A' ' 226' ' ' LYS . 72.9 tt0 -67.59 -38.78 84.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.433 ' CE1' HG11 ' A' ' 216' ' ' VAL . 37.5 m-85 -67.72 -53.92 23.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.398 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 229' ' ' ILE . 1.7 mp -52.23 -27.27 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.399 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -74.9 -36.67 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.359 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 231' ' ' ILE . . . . . 0.414 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.7 mt -67.52 -41.15 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.474 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 232' ' ' ILE . . . . . 0.45 HG12 ' CD2' ' A' ' 177' ' ' TRP . 55.1 mt -70.1 -44.49 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.384 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.1 -47.01 82.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -69.58 -43.95 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.96 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.425 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -60.18 -44.09 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.448 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 237' ' ' ASN . . . . . 0.428 ' OD1' ' NH2' ' B' ' 544' ' ' ARG . 94.1 m-20 -60.06 -40.18 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.52 -44.38 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -68.18 -38.97 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 241' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 20.1 m -61.5 -45.73 92.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.521 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.7 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.2 -47.5 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.67 -34.21 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.89 -42.96 84.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 246' ' ' ASN . . . . . 0.533 ' OD1' ' NZ ' ' B' ' 481' ' ' LYS . 97.9 m-20 -62.12 -34.53 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 247' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.95 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -73.25 -50.91 19.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 249' ' ' THR . . . . . 0.834 ' HA ' ' OD1' ' A' ' 252' ' ' ASP . 7.0 m -64.74 -34.82 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 36.6 mtt -72.88 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.9 p -113.0 -10.1 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 252' ' ' ASP . . . . . 0.834 ' OD1' ' HA ' ' A' ' 249' ' ' THR . 19.7 p-10 -132.12 47.79 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 253' ' ' THR . . . . . 0.619 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.3 m 175.73 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 254' ' ' THR . . . . . 0.546 ' N ' HG22 ' A' ' 253' ' ' THR . 12.3 m -53.42 -61.32 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -47.69 -57.48 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.22 -11.77 34.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.3 -18.23 30.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.0 -91.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 259' ' ' ARG . . . . . 0.701 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.0 ttt180 -98.64 174.5 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 260' ' ' ARG . . . . . 0.701 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 10.6 tpp180 -109.2 153.23 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 261' ' ' GLN . . . . . 0.413 ' O ' HD12 ' A' ' 262' ' ' LEU . 47.4 tt0 -83.71 -11.24 57.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.61 133.24 3.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 263' ' ' PRO . . . . . 0.71 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.6 Cg_exo -43.95 135.43 7.82 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.913 2.408 . . . . 0.0 112.072 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 264' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 263' ' ' PRO . 78.7 t -37.84 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 69.8 p -64.19 -5.44 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.624 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 266' ' ' ARG . . . . . 0.667 ' N ' ' O ' ' A' ' 263' ' ' PRO . 31.2 ttm180 54.13 55.62 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 55.7 mtpt -16.8 131.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 269' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.6 OUTLIER -50.25 158.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' A' ' 273' ' ' LYS . 88.6 m-20 -117.11 58.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 271' ' ' TRP . . . . . 0.599 ' C ' ' O ' ' A' ' 270' ' ' ASP . 82.3 m95 -21.49 -55.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 270' ' ' ASP . 21.6 t-20 -44.62 -25.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . 1.256 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -99.97 -7.7 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.626 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 274' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 274' ' ' ILE . 55.6 mt -103.15 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . 0.721 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.6 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.561 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 276' ' ' SER . . . . . 1.289 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.93 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 1.256 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.9 t80 -30.95 43.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 278' ' ' LYS . . . . . 1.289 ' N ' ' O ' ' A' ' 276' ' ' SER . 68.9 mttm -107.67 80.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 91.7 mt 54.19 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.14 0.0 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 49.5 tttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.549 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 302' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 46.1 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -42.75 -51.2 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -55.33 -34.2 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.462 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 305' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.3 mt-30 -60.69 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.485 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.27 -40.62 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.407 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.9 -40.83 95.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.397 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 97.5 m -68.05 -37.21 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.422 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 309' ' ' ALA . . . . . 0.715 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.346 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.32 -38.36 84.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.415 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.33 -33.64 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.37 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.86 -43.66 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.361 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.42 -25.58 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.391 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 314' ' ' ARG . . . . . 0.41 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 82.1 mtm180 -82.28 -12.41 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 315' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' B' ' 315' ' ' ARG . 50.3 mtt-85 -100.09 -46.82 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.6 147.75 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.7 128.49 21.37 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.836 2.357 . . . . 0.0 112.0 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 318' ' ' PRO . . . . . 0.436 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.1 Cg_endo -71.48 -4.1 14.34 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.896 2.397 . . . . 0.0 112.048 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . 0.468 ' NE2' ' CG ' ' B' ' 488' ' ' ASN . 79.1 mt-30 -80.52 -17.83 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -123.91 39.42 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 321' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' B' ' 318' ' ' PRO . 89.3 mt -63.36 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.4 42.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.66 -55.8 25.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.555 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 44.7 tp -47.11 -48.98 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.404 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.08 -49.75 74.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.29 -40.78 97.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' LEU . . . . . 0.715 HD21 ' HB1' ' B' ' 309' ' ' ALA . 48.4 tp -55.5 -41.04 72.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.492 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -41.12 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.81 -37.93 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.424 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.26 -29.09 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.429 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.52 84.59 9.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -68.09 -5.58 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.736 2.291 . . . . 0.0 112.072 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 90.5 p -89.34 -6.45 56.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 98.2 mt -119.05 20.86 12.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' B' ' 340' ' ' LEU . 10.9 t -64.07 -55.92 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.32 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.74 -36.17 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.51 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 60.9 mt -79.08 -28.62 43.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.0 mt -81.51 12.46 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.572 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 54.4 p -144.17 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 53.4 p -119.37 -15.51 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.85 120.0 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.502 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -87.79 128.64 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.555 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.98 28.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.44 125.25 5.84 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.799 2.333 . . . . 0.0 112.149 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 347' ' ' LEU . 97.1 mt -66.67 122.49 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.681 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.6 148.79 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.465 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 16.7 pt -102.96 136.38 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.755 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' ALA . . . . . 0.731 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -114.33 143.34 45.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.97 ' O ' ' N ' ' B' ' 356' ' ' GLY . 50.2 t0 -111.87 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.498 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 68.6 mmtt -37.31 -62.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' B' ' 353' ' ' LYS . 94.8 t -39.48 -52.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.639 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.0 t -93.0 -25.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . 0.97 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.7 70.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 352' ' ' ASP . 97.9 mttt -115.12 154.93 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 358' ' ' ASP . . . . . 0.731 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 34.1 m-20 -94.8 143.07 26.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.691 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.7 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.13 156.66 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.496 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.9 mt -108.59 158.55 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 362' ' ' CYS . . . . . 0.537 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.6 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 25.9 t70 -75.49 -10.32 59.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 364' ' ' TYR . . . . . 0.485 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 36.6 m-85 -88.34 -18.17 29.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 365' ' ' ASN . . . . . 0.537 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 37.3 p-10 -123.27 24.76 8.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 366' ' ' ARG . . . . . 0.514 HH22 HD13 ' B' ' 340' ' ' LEU . 31.3 ttp180 -119.96 129.84 54.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.18 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 79.98 -98.71 1.73 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -126.31 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.561 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 370' ' ' SER . . . . . 1.039 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 19.8 p -122.38 161.33 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 371' ' ' TYR . . . . . 1.141 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.8 m-85 -118.25 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . 0.586 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.2 ttp180 -98.72 124.72 43.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 373' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 35.2 t -79.61 133.79 58.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.859 2.373 . . . . 0.0 112.238 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -85.89 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 69.5 p -83.15 -18.6 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 377' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' B' ' 373' ' ' SER . 9.9 t30 70.27 40.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -141.55 137.87 32.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 379' ' ' TYR . . . . . 1.141 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 44.1 m-85 -65.72 140.45 58.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.672 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 380' ' ' ASP . . . . . 0.749 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.94 -60.45 6.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.378 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 381' ' ' PRO . . . . . 1.039 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.44 120.05 7.18 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.005 2.47 . . . . 0.0 112.269 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.54 79.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.955 2.437 . . . . 0.0 112.328 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.632 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.48 177.56 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.51 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . 0.616 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.618 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.98 65.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.523 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.17 151.72 47.44 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 387' ' ' ALA . . . . . 0.553 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.97 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.592 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 46.1 mtm -132.23 148.55 70.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 389' ' ' PRO . . . . . 0.463 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.6 Cg_endo -72.93 150.73 49.58 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.815 2.343 . . . . 0.0 112.144 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 90.9 p -52.68 142.9 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.537 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.91 -37.79 82.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.501 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.0 tp -70.89 -42.47 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.571 ' CZ ' ' ND2' ' B' ' 377' ' ' ASN . 44.2 ttm180 -55.32 -36.78 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -63.55 -46.56 85.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -32.0 73.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 397' ' ' GLU . . . . . 0.586 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.4 tt0 -67.82 -37.99 82.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.08 -40.3 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.72 -37.02 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.408 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 401' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.98 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.318 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.18 -40.35 68.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.374 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.34 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 405' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 22.0 m-20 -54.61 -38.83 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.453 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -77.08 -32.89 57.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 407' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 2.1 t80 -69.69 -18.68 63.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 408' ' ' ARG . . . . . 0.915 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.6 OUTLIER -83.8 -35.49 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.537 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 409' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 3.0 t0 -85.17 -8.94 58.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 410' ' ' LEU . . . . . 0.677 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.3 mt -95.86 -17.9 20.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 411' ' ' TYR . . . . . 0.71 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.02 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.2 m-85 -100.63 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.556 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 63.47 24.38 14.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 414' ' ' GLY . . . . . 0.51 ' O ' ' NE ' ' B' ' 408' ' ' ARG . . . 162.71 -154.45 25.41 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 415' ' ' GLY . . . . . 0.915 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.36 -163.5 52.97 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 7.9 t -128.6 153.76 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 18.3 p -143.65 148.48 35.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.675 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 22.7 m -148.2 143.9 27.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.84 130.25 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.755 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.543 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.6 m-85 -128.44 132.38 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.401 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.1 mt -119.61 158.43 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.74 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 422' ' ' TRP . . . . . 0.962 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.8 p90 -154.47 110.5 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.547 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -43.05 159.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.641 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 424' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.1 mt -127.83 -147.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 425' ' ' ASP . . . . . 0.457 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 34.2 m-20 -87.35 -49.86 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -129.78 30.66 4.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.67 2.56 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.66 154.08 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 429' ' ' ALA . . . . . 0.962 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 430' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.67 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.9 p -130.06 126.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.39 113.69 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.4 mt -102.93 143.18 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 434' ' ' ILE . . . . . 0.472 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.7 mt -148.71 119.89 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -122.55 127.53 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 436' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.16 119.57 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.85 138.14 40.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.636 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.43 45.22 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.64 128.0 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.603 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.61 9.8 75.82 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 12.7 t -110.37 -4.27 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.474 ' CE ' ' OD2' ' C' ' 644' ' ' ASP . 93.9 mttt -89.18 153.86 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.513 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -56.9 -43.8 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.658 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 64.4 mt -95.15 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.705 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.84 154.69 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.67 152.41 24.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 4.0 t -149.46 130.6 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.21 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 448' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.6 t-105 -114.76 116.24 28.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 449' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.5 127.16 54.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 450' ' ' SER . . . . . 0.482 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.4 m -115.89 122.76 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.968 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.94 100.8 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.3 m-70 -108.67 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.75 95.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 454' ' ' VAL . . . . . 0.424 HG22 ' N ' ' B' ' 455' ' ' GLU . 10.0 p -96.68 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 455' ' ' GLU . . . . . 0.424 ' N ' HG22 ' B' ' 454' ' ' VAL . 96.5 mt-10 -131.79 102.2 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.328 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.4 t -79.1 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 458' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.7 mt-10 -40.31 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.671 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 459' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' B' ' 464' ' ' THR . 65.1 tttm -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.0 -54.14 16.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.626 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.73 146.56 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 462' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.34 -12.82 47.99 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 463' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' B' ' 463' ' ' ARG . 0.9 OUTLIER 59.16 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.668 0.27 . . . . 0.0 110.56 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 464' ' ' THR . . . . . 0.514 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.5 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 465' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.745 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 466' ' ' HIS . . . . . 0.534 ' ND1' ' OD1' ' B' ' 500' ' ' ASP . 0.8 OUTLIER -92.97 126.54 38.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.14 139.45 38.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.954 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -135.82 86.13 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.203 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 469' ' ' LEU . . . . . 0.747 HD12 ' H ' ' B' ' 470' ' ' THR . 27.6 tp -82.12 157.59 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 470' ' ' THR . . . . . 0.747 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.9 m -157.86 62.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.066 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 17.9 m -64.64 174.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.127 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 472' ' ' THR . . . . . 0.51 HG23 ' OG1' ' B' ' 494' ' ' THR . 54.2 m -168.79 87.54 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.135 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 473' ' ' VAL . . . . . 0.457 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 96.0 t -69.65 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 474' ' ' MET . . . . . 0.463 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.1 mtp -124.81 95.98 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.175 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 475' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.6 tp -86.64 131.21 34.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 476' ' ' TRP . . . . . 0.503 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 51.6 m95 -125.31 130.21 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.241 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 44.6 mt -137.36 124.67 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.759 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.406 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 479' ' ' THR . . . . . 0.596 HG22 ' HB3' ' B' ' 487' ' ' MET . 7.5 t -163.42 127.47 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.691 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 480' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.15 73.74 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 481' ' ' LYS . . . . . 0.88 ' O ' ' N ' ' B' ' 485' ' ' GLY . 50.8 mtmt -107.56 146.69 31.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.31 -45.94 83.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.68 -25.24 68.77 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 484' ' ' SER . . . . . 0.455 ' O ' ' N ' ' B' ' 486' ' ' THR . 25.9 p -125.91 14.83 7.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 485' ' ' GLY . . . . . 0.88 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.6 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 486' ' ' THR . . . . . 0.47 ' HG1' ' CE1' ' A' ' 209' ' ' HIS . 16.0 p -126.04 113.94 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 487' ' ' MET . . . . . 0.596 ' HB3' HG22 ' B' ' 479' ' ' THR . 13.6 ttt -125.06 118.06 25.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 488' ' ' ASN . . . . . 0.468 ' CG ' ' NE2' ' B' ' 319' ' ' GLN . 33.6 t-20 -119.0 124.04 46.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 489' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 14.7 tp -131.7 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.36 -163.86 21.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 491' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.64 11.06 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 492' ' ' SER . . . . . 0.63 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 77.8 p 163.19 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.484 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.51 149.48 30.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.623 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 494' ' ' THR . . . . . 0.51 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.7 m -127.12 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -149.96 128.77 12.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -92.88 160.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.494 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 36.6 tpp -160.06 130.39 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -133.5 141.65 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -172.25 145.81 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 500' ' ' ASP . . . . . 0.534 ' OD1' ' ND1' ' B' ' 466' ' ' HIS . 41.6 m-20 -91.25 125.2 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -120.72 160.17 23.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.5 m -94.22 131.81 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.58 122.39 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 91.0 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.97 -35.85 77.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.64 -19.85 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 28.4 t -135.49 73.5 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.616 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.59 -172.6 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.785 2.324 . . . . 0.0 112.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -58.78 -62.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.67 -49.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.16 72.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.65 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -63.02 -48.16 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.63 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.54 74.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -57.37 -44.31 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.17 -52.57 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.589 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.45 -47.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -57.96 -51.68 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.49 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.8 tpp -64.35 -49.39 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.58 -45.29 93.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -56.87 -41.43 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.64 -38.5 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.38 -24.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 525' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' B' ' 525' ' ' ARG . 55.1 ttt-85 -68.74 -27.64 66.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.8 t -84.99 -38.79 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.643 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.0 m -66.08 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.641 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 528' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 37.1 mt -64.97 -42.36 94.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 530' ' ' GLU . . . . . 0.956 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.34 -54.48 7.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.625 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 532' ' ' TYR . . . . . 0.704 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 13.3 m-85 -50.28 -86.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 533' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.42 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.575 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . 0.956 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 535' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.8 tptt -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -58.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -50.39 -53.21 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -53.26 -44.93 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 539' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 89.3 mt -61.7 -36.1 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.38 -42.05 92.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.32 48.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.463 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 15.1 mt -68.16 -51.35 46.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.726 0.298 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 544' ' ' ARG . . . . . 0.762 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.86 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 545' ' ' SER . . . . . 0.762 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 39.9 t -142.17 137.87 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.553 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.14 -43.52 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -82.86 138.62 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 548' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.47 122.1 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 551' ' ' ASP . 86.9 mt -79.47 112.73 31.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 550' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.0 Cg_exo -46.65 80.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.862 2.375 . . . . 0.0 112.087 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.565 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.31 145.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -129.91 116.14 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -85.23 -24.78 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 558' ' ' LEU . 65.8 tttm -52.58 -64.19 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -45.19 -56.66 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.706 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.58 -46.94 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.748 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 557' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.8 tm0? -65.77 -29.69 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 554' ' ' LYS . 40.9 tp -77.84 -30.27 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.62 -36.37 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.19 -40.52 81.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 561' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.6 mt-10 -67.8 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.893 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 85.1 mt -49.14 -40.64 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.7 m -61.23 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 15.1 pt20 -36.66 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.893 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 23.6 t -72.17 -42.67 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.587 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.3 mt -81.44 -35.64 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 567' ' ' THR . . . . . 0.408 ' H ' HG23 ' B' ' 567' ' ' THR . 4.4 p -70.23 -19.63 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -117.47 6.6 12.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.0 ttt180 -160.95 -141.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 570' ' ' GLN . . . . . 0.815 ' O ' HG22 ' B' ' 571' ' ' ILE . 39.3 tt0 139.72 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 571' ' ' ILE . . . . . 0.815 HG22 ' O ' ' B' ' 570' ' ' GLN . 3.0 tp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 75.1 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 4.2 m 62.13 5.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 603' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' C' ' 603' ' ' ASP . 67.6 t0 -49.87 -37.77 32.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.66 -52.29 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.0 -28.98 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -75.61 -53.73 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 607' ' ' MET . . . . . 0.494 ' HG3' HD21 ' C' ' 632' ' ' LEU . 3.3 tmm? -72.7 -36.9 67.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -56.76 -15.97 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.578 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 609' ' ' ALA . . . . . 0.434 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.51 -50.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 610' ' ' LEU . . . . . 0.673 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.5 mp -66.36 2.06 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 611' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.9 tttm -102.13 -66.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -70.4 -4.21 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 613' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.94 58.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 614' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.3 m-20 -63.91 49.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.532 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 615' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.2 pp -45.06 -17.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 616' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' C' ' 614' ' ' ASP . 48.7 t0 -77.71 -27.56 50.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 617' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.6 tp10 -81.52 -49.78 10.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -28.43 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 619' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 36.6 ttmt -66.14 -21.88 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 620' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 96.5 m-20 -75.41 -45.39 39.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 621' ' ' TYR . . . . . 0.407 ' OH ' ' OD2' ' C' ' 627' ' ' ASP . 62.0 t80 -60.94 -59.17 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 10.3 m -57.71 -27.89 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 623' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.8 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -64.77 -76.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 625' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.86 82.45 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 626' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' C' ' 625' ' ' GLY . 9.5 tm-20 34.17 95.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 627' ' ' ASP . . . . . 0.407 ' OD2' ' OH ' ' C' ' 621' ' ' TYR . 64.9 t0 -140.96 62.65 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 628' ' ' VAL . . . . . 0.515 HG21 ' H ' ' C' ' 658' ' ' GLY . 10.3 m -121.98 77.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -173.09 5.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 630' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' C' ' 631' ' ' THR . 40.4 ttm180 -79.06 166.89 21.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.474 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.07 87.59 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.633 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 47.0 tp -31.27 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.69 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.423 ' OE1' HG13 ' A' ' 264' ' ' VAL . 6.9 tp10 -71.72 -76.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 634' ' ' GLY . . . . . 0.418 ' CA ' HH21 ' A' ' 266' ' ' ARG . . . -153.74 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 635' ' ' GLY . . . . . 0.531 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.78 0.18 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.92 164.88 21.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 637' ' ' LYS . . . . . 0.577 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.99 37.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 638' ' ' PRO . . . . . 0.475 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.5 Cg_endo -73.67 25.04 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.846 2.364 . . . . 0.0 112.111 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 639' ' ' LEU . . . . . 0.72 HD23 ' HG3' ' C' ' 671' ' ' PRO . 13.9 tp -117.72 -16.36 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 640' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' C' ' 674' ' ' SER . 86.3 t60 -75.23 -43.85 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.524 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -71.67 -35.92 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.557 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 642' ' ' ALA . . . . . 0.678 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.93 -44.99 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 644' ' ' ASP . . . . . 0.594 ' O ' ' OD1' ' C' ' 644' ' ' ASP . 27.4 t0 -60.67 -35.64 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.545 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 645' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.0 p -160.9 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 646' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.05 4.49 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 647' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.9 mm100 51.74 4.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 648' ' ' LEU . . . . . 0.973 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 7.01 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.526 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -115.74 -12.61 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 650' ' ' ILE . . . . . 0.865 ' O ' HD12 ' C' ' 654' ' ' LEU . 1.3 mm -87.47 -36.24 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 1.111 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.36 -52.88 61.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.558 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 652' ' ' GLU . . . . . 0.743 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 72.0 mm-40 -56.22 -22.61 30.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 653' ' ' PHE . . . . . 0.975 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.2 OUTLIER -75.78 -97.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.608 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 654' ' ' LEU . . . . . 0.978 HD22 ' O ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.41 6.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.622 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 655' ' ' LEU . . . . . 0.975 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.4 tp -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.19 -25.47 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.73 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 658' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.38 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 659' ' ' ALA . . . . . 0.713 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.09 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.563 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 660' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' C' ' 662' ' ' ASN . 97.7 m-20 -57.34 10.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 661' ' ' ILE . . . . . 0.713 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.6 tt -66.08 1.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 662' ' ' ASN . . . . . 1.113 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 49.6 p30 -163.63 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 663' ' ' ALA . . . . . 0.773 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.06 -33.69 0.28 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 664' ' ' PRO . . . . . 1.113 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 74.7 Cg_exo -46.93 120.87 4.48 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.834 2.356 . . . . 0.0 112.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -125.94 -50.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -78.79 -16.08 57.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 667' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.52 -6.28 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 668' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' C' ' 667' ' ' HIS . 51.0 p-80 40.62 37.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 669' ' ' ILE . . . . . 0.477 HG22 ' O ' ' C' ' 667' ' ' HIS . 15.7 tt -176.86 147.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.15 168.67 10.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 671' ' ' PRO . . . . . 0.72 ' HG3' HD23 ' C' ' 639' ' ' LEU . 37.1 Cg_endo -72.47 -30.5 12.31 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 672' ' ' LEU . . . . . 0.53 HD12 HD23 ' C' ' 687' ' ' LEU . 7.6 tt -45.35 -49.11 13.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 673' ' ' LEU . . . . . 0.616 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 8.4 mp -67.83 -27.78 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 674' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.4 t -51.77 -40.89 61.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 675' ' ' ALA . . . . . 0.608 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.54 -29.97 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 676' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 20.8 t -47.24 -66.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 677' ' ' TYR . . . . . 0.564 ' CZ ' ' OG1' ' A' ' 249' ' ' THR . 0.1 OUTLIER -77.76 39.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 678' ' ' GLU . . . . . 0.608 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 71.3 mm-40 -124.54 -28.65 3.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.29 -11.35 72.32 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 66.7 m80 -71.93 -53.57 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.593 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 681' ' ' VAL . . . . . 0.754 ' O ' HG22 ' C' ' 684' ' ' VAL . 5.3 m 43.28 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.9 m -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 683' ' ' CYS . . . . . 0.659 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.6 p -90.93 -48.65 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 684' ' ' VAL . . . . . 0.754 HG22 ' O ' ' C' ' 681' ' ' VAL . 3.7 m -41.93 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 685' ' ' LYS . . . . . 0.851 ' O ' HD12 ' C' ' 688' ' ' LEU . 64.0 tttp -62.52 -73.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.99 1.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 687' ' ' LEU . . . . . 0.53 HD23 HD12 ' C' ' 672' ' ' LEU . 34.9 tp -81.85 -70.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 688' ' ' LEU . . . . . 1.347 HD13 ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.7 -21.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.516 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 689' ' ' SER . . . . . 1.347 ' N ' HD13 ' C' ' 688' ' ' LEU . 58.2 m -55.81 -21.51 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -99.64 -6.33 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 691' ' ' GLY . . . . . 1.087 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.87 0.42 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 692' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 110.579 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 693' ' ' ASP . . . . . 1.087 ' N ' ' O ' ' C' ' 691' ' ' GLY . 39.4 t0 33.12 -128.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 694' ' ' LYS . . . . . 0.493 ' O ' HG23 ' C' ' 695' ' ' THR . 24.6 pttm -152.51 -23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 695' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 694' ' ' LYS . 25.4 p -156.49 73.48 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.51 -29.6 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -140.14 23.5 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.626 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.76 20.36 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 699' ' ' PRO . . . . . 0.659 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 83.1 Cg_exo -44.82 -27.71 2.58 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.881 2.387 . . . . 0.0 112.114 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 700' ' ' ASP . . . . . 0.659 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 35.0 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 701' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 702' ' ' LEU . . . . . 0.646 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.0 tp -53.8 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.587 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 703' ' ' THR . . . . . 0.888 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 0.0 OUTLIER 16.19 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.585 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 704' ' ' ALA . . . . . 0.55 ' H ' HG23 ' C' ' 703' ' ' THR . . . -106.62 -18.64 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 705' ' ' LEU . . . . . 0.563 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.8 tp -62.89 -75.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.596 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.77 15.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 707' ' ' ALA . . . . . 0.888 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 708' ' ' THR . . . . . 0.437 HG22 ' H ' ' C' ' 709' ' ' ASP . 0.4 OUTLIER -139.76 -142.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.623 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 709' ' ' ASP . . . . . 0.437 ' H ' HG22 ' C' ' 708' ' ' THR . 54.5 p30 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -72.56 151.79 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -71.49 -20.51 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.4 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.99 -37.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -52.06 -29.93 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.18 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 716' ' ' LEU . . . . . 1.053 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.9 tp -161.08 98.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 717' ' ' LEU . . . . . 1.053 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.5 mp 124.14 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.597 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 718' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 7.5 tp-100 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.625 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.434 ' NH1' ' HG2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 8' ' ' VAL . 13.6 p -54.14 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.74 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -45.9 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.1 m-20 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.51 -39.3 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -41.0 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.69 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 10' ' ' ASP . 76.8 t -65.25 -43.78 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' NH2' ' CB ' ' A' ' 18' ' ' ALA . 8.8 tpm_? -61.53 -39.73 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.39 -47.45 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.93 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' CB ' ' NH2' ' A' ' 15' ' ' ARG . . . -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 38.2 ttmt -65.91 -41.28 91.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.51 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -65.24 -44.84 86.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.5 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.404 HG21 ' OE1' ' A' ' 56' ' ' GLN . 52.1 p -75.98 8.4 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.69 15.3 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.95 81.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 15.9 Cg_endo -68.19 167.52 21.77 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.819 2.346 . . . . 0.0 112.061 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 53.5 Cg_endo -70.95 116.25 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.691 2.26 . . . . 0.0 112.125 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.14 21.47 35.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 55.7 mp0 -149.3 37.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 54.7 p90 -73.93 -48.82 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.546 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.614 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 24.2 p-10 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.535 ' CD ' HH21 ' B' ' 315' ' ' ARG . 97.6 mt-10 -44.5 -54.42 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 36' ' ' VAL . 53.6 t -60.85 -42.44 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 31.9 t80 -59.2 -50.9 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -60.04 -37.87 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -64.16 -42.05 96.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 32' ' ' VAL . 97.0 t -66.97 -41.91 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.35 -54.8 41.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD13 ' SG ' ' B' ' 308' ' ' CYS . 58.1 mt -59.35 -34.75 72.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.27 -49.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HD22 ' B' ' 331' ' ' LEU . 13.4 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.62 49.7 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.481 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 8.1 m120 -168.63 79.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.89 -37.92 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -54.11 -44.18 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.3 -30.84 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.57 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 39.7 tp -62.7 -38.74 91.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.586 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -66.21 -35.53 80.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -40.94 -59.86 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.85 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.12 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.52 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.517 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -54.26 -37.08 64.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.586 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.42 -54.41 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.6 -56.6 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.537 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 51.5 tt0 -33.55 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.08 -72.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.558 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -46.95 -30.89 2.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 61' ' ' GLN . 83.1 mtp -68.9 -66.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -67.85 9.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 12.2 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 83.1 m-85 23.95 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 28.1 m -58.85 111.3 3.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.616 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.64 115.19 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.897 2.398 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.632 HG22 ' N ' ' A' ' 66' ' ' LYS . 10.6 p -109.34 165.93 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.632 ' N ' HG22 ' A' ' 65' ' ' VAL . 63.0 tttm -125.19 103.98 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.654 ' O ' ' C ' ' A' ' 68' ' ' GLU . 44.5 mt -51.54 148.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.631 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.654 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.3 tm-20 -13.24 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.514 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.11 0.32 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.796 ' O ' ' N ' ' A' ' 72' ' ' ASP . 64.3 m-85 -137.48 14.75 2.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.582 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 70' ' ' TYR . 58.1 t0 20.14 39.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 1.064 ' O ' ' N ' ' A' ' 74' ' ' VAL . 37.7 t0 -98.75 19.44 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.707 ' C ' ' O ' ' A' ' 72' ' ' ASP . 74.3 mm-40 -0.3 50.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.064 ' N ' ' O ' ' A' ' 72' ' ' ASP . 13.7 p -63.98 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.733 ' N ' HG22 ' A' ' 74' ' ' VAL . 48.2 mt -113.28 152.26 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.553 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.2 mt -104.06 105.52 18.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' GLU . 2.8 t -130.13 -176.9 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 21.1 pt-20 -78.76 -31.29 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.516 ' CE1' HD13 ' A' ' 155' ' ' ILE . 87.2 m-70 -64.02 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.69 50.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.49 100.0 11.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 82' ' ' LEU . 35.1 tp -49.6 -51.54 36.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.66 25.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -116.1 1.19 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.22 -15.8 9.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.691 ' HG2' HH11 ' A' ' 86' ' ' ARG . 9.6 mtt-85 -108.41 168.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.527 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 54.2 m-85 -114.53 -170.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.0 tp -118.27 157.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.735 ' HB3' HD13 ' A' ' 94' ' ' ILE . 52.0 t0 -139.27 89.01 12.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.02 -36.71 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.852 2.368 . . . . 0.0 112.027 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.39 -75.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -76.48 -20.31 57.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 6.8 mtmp? 62.76 61.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.735 HD13 ' HB3' ' A' ' 89' ' ' ASP . 0.2 OUTLIER -146.48 154.43 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.818 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 3.5 t -92.62 133.04 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 32.7 p90 -140.14 136.62 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.696 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.1 tttt -88.67 113.37 24.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.869 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 51.8 t80 -82.63 133.09 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.642 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 2.4 m-20 -104.52 90.14 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.641 ' N ' ' CD2' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.46 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.526 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.3 mm? -47.38 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -52.73 156.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.584 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -88.9 2.3 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -117.18 150.26 39.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.869 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.28 79.71 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.57 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 49.7 m -95.58 -164.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t0 73.76 54.48 0.28 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.818 ' HA ' ' O ' ' A' ' 95' ' ' SER . 57.4 Cg_endo -73.49 -177.81 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.859 2.373 . . . . 0.0 112.086 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.814 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.15 124.54 2.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -47.09 130.95 17.05 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.907 2.405 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.698 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 8.1 pt-20 -122.9 102.47 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.2 p-10 -75.44 88.4 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.1 t -46.95 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.616 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t 71.95 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.8 -59.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.669 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.08 3.35 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 119' ' ' GLN . 87.2 tttt -53.96 -41.94 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 118' ' ' LYS . 93.4 mm-40 -39.2 -55.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.51 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -62.54 -47.57 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.57 ' O ' ' C ' ' A' ' 122' ' ' ASP . 9.4 tmm_? -53.93 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 121' ' ' ARG . 42.2 t0 -25.51 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.19 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.2 m -51.15 -48.57 61.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.46 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.2 t0 -40.41 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 22.6 m -48.01 -46.23 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.47 33.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.73 -12.33 60.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.639 ' O ' ' NE ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.71 74.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.625 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.65 -39.25 24.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.557 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.1 t80 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 136' ' ' TYR . 6.4 p -74.75 -40.51 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.503 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.451 ' N ' HG13 ' A' ' 132' ' ' VAL . 51.8 tttm -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 73.5 m-20 -147.56 7.68 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.765 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 59.7 m-70 -151.04 -21.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 39.2 m-85 -114.69 106.54 51.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.64 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.796 2.331 . . . . 0.0 112.028 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -127.53 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.59 12.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.583 ' HB2' HD21 ' A' ' 75' ' ' LEU . 51.2 m-85 -135.07 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 0.0 110.594 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 2.5 p -129.51 162.27 28.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 98.7 m -161.37 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.5 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 46.1 t -75.78 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 57.4 m-85 -120.18 124.24 45.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.7 84.52 0.37 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.405 ' HG2' ' H ' ' A' ' 147' ' ' SER . 30.8 ttpt -123.78 167.37 14.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.855 0.359 . . . . 0.0 110.519 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.405 ' H ' ' HG2' ' A' ' 146' ' ' LYS . 14.6 p -107.58 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 35.6 mm -91.17 104.06 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 54.5 t0 46.72 54.22 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.82 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -53.77 129.79 34.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.325 . . . . 0.0 110.65 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.637 ' H ' HG21 ' A' ' 181' ' ' ILE . 79.5 mt-30 -85.73 150.48 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.396 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.5 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.506 HD13 HD21 ' A' ' 117' ' ' LEU . 9.1 mm -108.48 110.06 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 54.3 mt -98.12 117.09 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 116.06 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.229 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 52.9 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.76 137.71 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.521 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.32 151.93 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.978 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.725 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.89 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.251 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 1.2 p80 -140.66 170.61 15.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.965 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.7 mm-40 -148.65 77.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.218 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -65.36 147.45 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.608 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 6.3 tp-100 -167.98 66.08 0.73 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.333 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.4 Cg_endo -60.7 -52.06 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.768 2.312 . . . . 0.0 112.14 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -43.94 -8.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.455 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 2.8 t-20 -121.93 -10.46 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.82 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 43.8 m-85 70.07 80.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.82 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 21.6 p-90 158.78 127.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.734 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . 0.559 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 62.4 m-20 -135.98 162.31 33.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.17 29.05 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.7 136.64 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.706 0.288 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' TRP . . . . . 0.873 ' CE3' HD11 ' A' ' 194' ' ' ILE . 6.3 t-105 -107.6 138.91 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.894 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.55 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 95.4 mtt180 -125.32 152.24 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.212 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.423 ' HG ' ' C ' ' A' ' 174' ' ' ARG . 0.8 OUTLIER -166.27 111.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.031 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.64 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.1 tt0 -116.4 124.68 50.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.652 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 69.0 m95 -120.62 116.95 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -98.59 119.83 37.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.368 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.72 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.1 m-85 -117.52 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 80.9 p -50.13 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' ILE . . . . . 0.756 ' O ' ' HB ' ' A' ' 182' ' ' THR . 9.7 tp -164.31 151.32 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.643 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 1.335 ' OG1' ' HG3' ' A' ' 184' ' ' PRO . 9.6 t 149.77 61.44 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 1.042 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 77.8 Cg_exo -34.38 12.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.413 2.742 . . . . 0.0 112.69 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . 1.335 ' HG3' ' OG1' ' A' ' 182' ' ' THR . 42.9 Cg_endo -79.79 -4.35 13.38 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.858 2.372 . . . . 0.0 112.172 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' THR . . . . . 1.037 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.1 OUTLIER 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.257 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.172 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.86 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.936 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 1.121 ' O ' HG23 ' A' ' 188' ' ' VAL . 78.1 mt-30 -106.7 -114.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.277 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.121 HG23 ' O ' ' A' ' 187' ' ' GLN . 4.6 t 145.65 173.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' ALA . . . . . 0.748 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.348 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.64 2.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.7 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . 57.3 mt -85.57 157.8 20.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' LYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 27.0 mttt -150.33 147.82 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . 0.873 HD11 ' CE3' ' A' ' 173' ' ' TRP . 0.9 OUTLIER -149.43 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.262 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.501 ' NE2' ' OE1' ' A' ' 205' ' ' GLN . 57.8 tt0 -142.38 130.28 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.699 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.64 136.65 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.147 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . 0.761 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 76.7 t60 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.976 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' TYR . . . . . 0.521 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.5 t80 -145.59 87.07 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.9 t80 -100.03 87.78 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' GLU . . . . . 0.793 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 32.8 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' ASP . . . . . 0.793 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.6 t0 114.84 2.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.42 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.67 -129.15 1.08 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.1 t -127.03 129.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' GLN . . . . . 0.699 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 3.8 tt0 -136.79 154.1 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.525 HD12 ' O ' ' B' ' 488' ' ' ASN . 10.6 tp -122.23 87.2 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.708 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' VAL . . . . . 0.582 ' CG2' ' NE2' ' A' ' 205' ' ' GLN . 16.4 t -90.03 122.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.412 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 6.1 p -149.61 147.23 27.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.409 . . . . 0.0 110.757 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' HIS . . . . . 0.504 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 30.1 p80 -157.85 145.05 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.209 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -135.42 129.08 32.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.58 129.85 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 19.6 tt -127.15 154.93 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -150.19 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' ASP . . . . . 0.654 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.3 t0 -118.87 166.04 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.672 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 1.05 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 66.1 m -117.76 103.39 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.447 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' VAL . . . . . 1.172 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 70.6 t -91.96 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' GLN . . . . . 1.037 ' HA ' ' O ' ' A' ' 185' ' ' THR . 83.9 mt-30 -102.63 128.0 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' VAL . . . . . 1.051 HG23 ' HB2' ' A' ' 186' ' ' ALA . 54.8 t -86.02 137.55 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.967 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.7 t -131.07 -99.06 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 224' ' ' THR . 3.5 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 221' ' ' ASP . 19.5 p-10 -86.8 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.457 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 14.5 p -70.05 -24.69 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.515 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -73.98 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.967 ' CG2' ' H ' ' A' ' 219' ' ' SER . 53.5 p -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.55 -57.13 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.439 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.04 -30.58 64.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.6 -38.7 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.449 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -67.79 -53.96 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.0 mm -52.16 -27.34 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.384 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -74.8 -36.78 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.373 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 231' ' ' ILE . . . . . 0.437 HG13 HG21 ' A' ' 216' ' ' VAL . 4.6 mm -67.49 -41.22 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.459 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 232' ' ' ILE . . . . . 0.49 HG23 ' CE2' ' A' ' 177' ' ' TRP . 49.8 mt -70.01 -44.53 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.06 -46.99 82.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -69.63 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.435 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.96 61.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 236' ' ' GLU . . . . . 0.435 ' OE2' ' OH ' ' A' ' 136' ' ' TYR . 68.6 tt0 -60.2 -44.13 95.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.487 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 237' ' ' ASN . . . . . 0.5 ' HA ' HH12 ' B' ' 544' ' ' ARG . 92.5 m-20 -60.0 -40.28 88.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.72 -34.37 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 239' ' ' TYR . . . . . 0.697 ' CE2' HD11 ' A' ' 243' ' ' ILE . 49.6 t80 -68.45 -44.38 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 240' ' ' GLN . . . . . 0.758 ' HA ' HD12 ' A' ' 243' ' ' ILE . 55.2 tt0 -68.19 -39.02 82.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 76.2 m -61.43 -45.82 92.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 243' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 240' ' ' GLN . 62.7 mt -69.25 -47.45 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 81.3 p -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.89 -42.94 84.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.563 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 246' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 250' ' ' MET . 98.6 m-20 -62.12 -34.59 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 247' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 250' ' ' MET . 0.7 OUTLIER -64.93 -31.92 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -73.18 -50.91 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 249' ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.8 p -64.78 -34.84 79.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.579 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 247' ' ' TYR . 2.5 ptp -72.86 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.1 p -113.0 -10.08 13.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 252' ' ' ASP . . . . . 0.626 ' O ' ' OG1' ' A' ' 253' ' ' THR . 38.5 t70 -132.13 47.74 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 253' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.4 m 175.72 -78.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 254' ' ' THR . . . . . 0.56 ' N ' HG22 ' A' ' 253' ' ' THR . 10.9 m -53.54 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -47.69 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.33 -18.16 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 259' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ2' ' B' ' 448' ' ' TRP . 0.1 OUTLIER -98.58 174.49 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 260' ' ' ARG . . . . . 0.999 ' O ' ' CZ ' ' B' ' 411' ' ' TYR . 32.9 mmt180 -109.19 153.24 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 261' ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' ' 262' ' ' LEU . 84.3 mt-30 -83.75 -11.2 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.63 133.28 3.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 263' ' ' PRO . . . . . 0.699 ' O ' ' N ' ' A' ' 266' ' ' ARG . 76.8 Cg_exo -44.0 135.44 7.96 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.895 2.397 . . . . 0.0 112.064 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 264' ' ' VAL . . . . . 0.455 HG23 ' N ' ' A' ' 265' ' ' THR . 6.2 m -37.8 -38.97 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 265' ' ' THR . . . . . 0.492 ' O ' HG22 ' A' ' 267' ' ' THR . 3.4 m -64.13 -5.5 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 266' ' ' ARG . . . . . 0.699 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.8 ttm180 54.2 55.58 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.5 t 173.25 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.4 mttt -16.79 131.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 269' ' ' ILE . . . . . 0.561 HD12 ' H ' ' A' ' 269' ' ' ILE . 3.7 mp -50.25 158.44 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.803 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.9 m-20 -117.02 58.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 271' ' ' TRP . . . . . 0.597 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.44 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.2 t-20 -44.65 -25.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . 1.248 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 4.9 tttt -99.96 -7.73 24.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 274' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 274' ' ' ILE . 0.7 OUTLIER -103.24 -1.13 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 276' ' ' SER . 8.6 mt -111.16 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 276' ' ' SER . . . . . 1.297 ' O ' ' N ' ' A' ' 278' ' ' LYS . 8.0 m 141.9 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 1.248 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 78.4 t80 -31.02 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 278' ' ' LYS . . . . . 1.297 ' N ' ' O ' ' A' ' 276' ' ' SER . 64.8 tttp -107.72 80.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' A' ' 280' ' ' GLY . 96.1 mt 54.18 3.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 280' ' ' GLY . . . . . 1.069 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.51 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 302' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 7.4 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -42.8 -51.2 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -55.33 -34.16 63.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 305' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.6 mt-30 -60.74 -49.07 78.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.4 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.29 -40.59 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.41 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.96 -40.79 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.356 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 308' ' ' CYS . . . . . 0.429 ' SG ' HD13 ' A' ' 38' ' ' LEU . 79.6 m -68.13 -37.17 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.25 -42.09 96.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.36 -38.36 84.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.36 -33.65 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.78 -43.74 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.6 mmm -64.36 -25.64 68.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.381 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.28 -12.37 58.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 315' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' B' ' 315' ' ' ARG . 27.4 mmt-85 -100.09 -46.89 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.519 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.56 147.72 95.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.6 128.41 20.91 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 122.838 2.359 . . . . 0.0 112.026 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 318' ' ' PRO . . . . . 0.498 ' HA ' HG12 ' B' ' 321' ' ' ILE . 38.4 Cg_endo -71.48 -4.07 14.27 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.88 2.387 . . . . 0.0 112.056 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . 0.522 ' NE2' HG21 ' A' ' 207' ' ' VAL . 7.1 pt20 -80.53 -17.79 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -123.96 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.497 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 321' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' B' ' 318' ' ' PRO . 4.8 mm -63.41 -40.92 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.541 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.72 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -54.61 -54.4 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.504 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -54.72 -55.78 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 42.9 tp -47.12 -48.95 22.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.6 t -57.02 -49.78 74.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.417 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 63.7 tp -55.56 -40.98 72.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.53 -41.15 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.396 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.77 -37.95 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.458 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.2 mt -71.26 -29.06 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.411 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.6 84.62 9.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.1 -5.6 15.15 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.774 2.316 . . . . 0.0 112.059 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.29 -6.47 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 95.4 mt -119.01 20.86 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.1 -55.87 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.39 -50.44 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.72 -36.18 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . 0.479 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 71.6 mt -79.06 -28.66 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' LEU . . . . . 0.639 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 41.6 mt -81.45 12.39 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.5 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.1 t -119.39 -15.48 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.85 120.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.85 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.465 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 0.4 OUTLIER -129.27 165.94 28.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 84.9 Cg_exo -44.48 125.24 5.89 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.796 2.331 . . . . 0.0 112.168 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 347' ' ' LEU . 93.9 mt -66.63 122.46 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -88.62 148.77 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 21.1 tt -102.94 136.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.72 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' ALA . . . . . 0.725 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.66 33.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.463 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -114.37 143.36 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.571 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.963 ' O ' ' N ' ' B' ' 356' ' ' GLY . 64.2 t0 -111.94 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 64.1 mttp -37.25 -62.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 93.7 t -39.51 -52.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 5.9 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.65 70.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 30.7 mmtp -115.06 154.92 27.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 358' ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.9 m-20 -94.76 143.05 26.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.681 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.73 33.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.19 156.68 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.423 HD22 ' CG ' ' B' ' 371' ' ' TYR . 66.1 mt -108.57 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 362' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 21.5 p -168.2 168.66 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 363' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.2 p-10 -75.54 -10.28 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 364' ' ' TYR . . . . . 0.504 ' O ' ' CE2' ' B' ' 420' ' ' TYR . 87.5 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 365' ' ' ASN . . . . . 0.455 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 51.2 p30 -123.25 24.76 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 366' ' ' ARG . . . . . 0.515 ' NH1' ' OH ' ' B' ' 371' ' ' TYR . 56.4 ttt180 -119.98 129.87 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -122.18 99.5 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.03 -98.7 1.74 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -126.32 8.77 7.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.577 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 370' ' ' SER . . . . . 1.019 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 78.3 p -122.4 161.32 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 371' ' ' TYR . . . . . 1.1 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.8 m-85 -118.26 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . 0.534 ' NH2' ' OH ' ' B' ' 420' ' ' TYR . 4.9 mtp180 -98.76 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 373' ' ' SER . . . . . 0.588 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 87.4 p -79.62 133.77 58.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.789 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 374' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.6 Cg_exo -75.81 -14.82 19.3 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.857 2.371 . . . . 0.0 112.227 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -85.86 -66.28 0.92 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 376' ' ' SER . . . . . 0.493 ' HG ' ' HG ' ' B' ' 373' ' ' SER . 68.0 p -83.14 -18.6 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 377' ' ' ASN . . . . . 0.588 ' HA ' ' O ' ' B' ' 373' ' ' SER . 49.6 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -141.56 137.91 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 379' ' ' TYR . . . . . 1.1 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.8 140.45 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.614 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 380' ' ' ASP . . . . . 0.876 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.97 -60.41 6.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.369 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 381' ' ' PRO . . . . . 1.019 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.1 Cg_exo -65.43 120.04 7.17 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.957 2.438 . . . . 0.0 112.327 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.61 79.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.984 2.456 . . . . 0.0 112.246 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.611 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.2 tp -84.51 177.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.533 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -111.64 -72.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.02 66.02 0.72 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 386' ' ' GLY . . . . . 0.85 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.23 151.74 47.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -63.98 127.29 30.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 388' ' ' MET . . . . . 0.474 ' O ' ' SD ' ' B' ' 388' ' ' MET . 0.0 OUTLIER -132.31 148.6 70.36 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.98 150.76 49.32 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.119 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 142.92 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.63 -43.73 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -67.95 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.89 -42.42 70.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -55.32 -36.8 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.54 -46.56 85.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.44 -31.94 73.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.262 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -67.85 -38.05 82.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.06 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.436 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.74 -36.96 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.91 94.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 401' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.0 t-20 -63.91 -39.08 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.12 -40.41 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.375 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . 0.864 ' HB1' HD11 ' A' ' 274' ' ' ILE . . . -63.65 -47.96 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.394 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.31 -29.29 67.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 405' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 54.1 m-20 -54.57 -38.83 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.18 -32.78 56.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -69.79 -18.64 63.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 408' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 4.3 ttm180 -83.84 -35.46 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 409' ' ' ASP . . . . . 0.518 ' OD2' ' NZ ' ' C' ' 604' ' ' LYS . 17.0 t0 -85.2 -9.0 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 410' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 43.5 mt -95.8 -17.89 20.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 411' ' ' TYR . . . . . 0.999 ' CZ ' ' O ' ' A' ' 260' ' ' ARG . 1.7 t80 -118.89 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 77.1 m-85 -100.58 -25.98 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 63.53 24.34 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.77 -154.49 25.46 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.38 -163.46 52.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 16.3 t -128.7 153.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.331 . . . . 0.0 110.447 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 47.4 t -143.57 148.52 36.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 26.4 t -148.21 143.99 27.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 97.2 t -132.9 130.21 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.534 ' OH ' ' NH2' ' B' ' 372' ' ' ARG . 77.5 t80 -128.5 132.43 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 158.4 26.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.686 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 422' ' ' TRP . . . . . 0.918 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.0 p-90 -154.5 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -43.01 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 424' ' ' LEU . . . . . 0.763 HD21 ' CZ3' ' B' ' 422' ' ' TRP . 55.1 mt -127.86 -147.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 425' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 52.6 t0 -87.34 -49.87 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -129.8 30.73 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.7 -135.64 2.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -170.71 154.13 4.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.533 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 429' ' ' ALA . . . . . 0.918 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -124.04 172.79 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 430' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.68 35.02 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.03 126.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.56 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 113.72 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' B' ' 450' ' ' SER . 30.8 mt -102.88 143.14 32.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 434' ' ' ILE . . . . . 0.492 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.6 mt -148.71 119.92 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -122.56 127.53 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 436' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.19 119.63 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.91 138.15 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.07 179.47 45.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.73 128.11 19.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.75 76.05 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.5 p -110.34 -4.25 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -89.22 153.91 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 443' ' ' LYS . . . . . 0.545 ' NZ ' ' CD2' ' C' ' 677' ' ' TYR . 6.1 pttm -56.94 -43.77 81.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 444' ' ' ILE . . . . . 0.425 ' H ' ' HG3' ' B' ' 443' ' ' LYS . 60.1 mt -95.16 135.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.689 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -105.75 154.73 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.356 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.77 152.4 24.51 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 8.1 t -149.44 130.65 14.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 448' ' ' TRP . . . . . 0.728 ' CZ2' ' CZ ' ' A' ' 259' ' ' ARG . 6.7 t-105 -114.81 116.22 28.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.817 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 449' ' ' ASP . . . . . 0.51 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.0 m-20 -109.43 127.18 54.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.288 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 450' ' ' SER . . . . . 0.559 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.3 m -115.92 122.78 46.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 88.9 mt -127.91 100.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 3.3 m170 -108.66 132.41 53.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.813 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 453' ' ' VAL . . . . . 0.709 ' O ' HG22 ' B' ' 470' ' ' THR . 0.1 OUTLIER -128.74 95.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.217 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.1 p -96.69 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -131.84 102.22 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.318 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 456' ' ' VAL . . . . . 0.408 HG22 ' CE2' ' B' ' 467' ' ' TYR . 99.5 t -79.1 139.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -123.51 68.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 458' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.9 mt-10 -40.22 146.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 459' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' B' ' 464' ' ' THR . 28.7 tptp -109.37 141.97 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.93 -54.15 16.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.655 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.75 146.57 50.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 462' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.76 48.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 59.17 -0.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.685 0.278 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 464' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 462' ' ' GLY . 9.6 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 465' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.76 151.9 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.729 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -92.98 126.53 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.381 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 467' ' ' TYR . . . . . 0.408 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.3 m-85 -103.15 139.44 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -135.81 86.18 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 157.55 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 470' ' ' THR . . . . . 0.76 ' O ' HG23 ' B' ' 470' ' ' THR . 15.1 t -157.85 62.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.077 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 11.9 p -64.65 174.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 472' ' ' THR . . . . . 0.731 HG23 HG22 ' B' ' 494' ' ' THR . 6.2 m -168.77 87.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.113 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 473' ' ' VAL . . . . . 0.472 HG11 ' CH2' ' B' ' 448' ' ' TRP . 98.5 t -69.72 143.85 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 474' ' ' MET . . . . . 0.51 ' HB3' ' HB2' ' B' ' 449' ' ' ASP . 0.6 OUTLIER -124.82 96.05 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 475' ' ' LEU . . . . . 0.713 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.8 OUTLIER -86.67 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 476' ' ' TRP . . . . . 0.713 ' N ' HD23 ' B' ' 475' ' ' LEU . 1.6 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 33.7 mt -137.36 124.71 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.954 0.406 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 478' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' B' ' 479' ' ' THR . 41.4 tt0 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 479' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 478' ' ' GLN . 1.8 t -163.46 127.52 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 480' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 13.3 m120 -108.23 73.81 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 481' ' ' LYS . . . . . 0.875 ' O ' ' N ' ' B' ' 485' ' ' GLY . 3.4 ttmp? -107.66 146.68 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 60.9 p -57.31 -45.98 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.6 -25.26 68.67 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 484' ' ' SER . . . . . 0.447 ' O ' ' C ' ' B' ' 485' ' ' GLY . 51.8 p -125.92 14.85 7.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 110.611 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 485' ' ' GLY . . . . . 0.875 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.61 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 486' ' ' THR . . . . . 0.504 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 15.1 p -126.0 113.91 17.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 487' ' ' MET . . . . . 0.678 ' SD ' HG12 ' A' ' 243' ' ' ILE . 2.5 ttm -125.07 118.04 25.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 488' ' ' ASN . . . . . 0.569 HD22 ' C ' ' B' ' 487' ' ' MET . 4.0 m120 -119.0 123.97 45.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 489' ' ' LEU . . . . . 0.439 ' HB2' HD13 ' A' ' 206' ' ' LEU . 13.4 tp -131.65 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.79 21.79 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 491' ' ' GLY . . . . . 0.628 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.82 -142.65 11.08 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 492' ' ' SER . . . . . 0.628 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 74.3 p 163.2 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 493' ' ' LEU . . . . . 0.526 HD22 ' C ' ' B' ' 492' ' ' SER . 4.3 mm? -110.55 149.5 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 494' ' ' THR . . . . . 0.731 HG22 HG23 ' B' ' 472' ' ' THR . 2.5 p -127.18 142.86 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.478 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 495' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.3 mmt180 -149.95 128.7 12.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -92.83 160.59 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.6 tpp -160.04 130.44 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.662 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 498' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.8 pm0 -133.5 141.57 47.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.551 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -172.2 145.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 500' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.0 p-10 -91.21 125.2 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -120.75 160.17 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 72.4 p -94.24 131.85 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.61 122.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 18.6 p -143.02 -177.23 5.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.9 -35.84 77.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.66 -19.85 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 27.6 t -135.5 73.45 62.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 508' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.0 Cg_exo -72.5 -172.58 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.799 2.333 . . . . 0.0 112.145 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -58.82 -62.69 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 510' ' ' ILE . . . . . 0.608 HD12 ' H ' ' B' ' 510' ' ' ILE . 3.7 mp -42.7 -49.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.621 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 511' ' ' ALA . . . . . 0.465 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -54.92 -49.32 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.97 -48.14 80.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.08 -33.61 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.58 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 514' ' ' GLY . . . . . 0.518 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.72 -46.63 73.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -57.35 -44.31 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.27 . . . . 0.0 110.745 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.19 -52.52 62.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.5 -47.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.93 -51.71 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.746 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 519' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.9 t0 -63.52 -37.54 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.34 -49.44 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 521' ' ' GLU . . . . . 0.576 ' CG ' HH22 ' A' ' 259' ' ' ARG . 37.3 mt-10 -62.54 -45.33 93.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 522' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 56.3 t-20 -56.93 -41.41 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -70.62 -38.5 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 524' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' B' ' 524' ' ' ILE . 26.7 mm -74.36 -24.41 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 525' ' ' ARG . . . . . 0.666 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.62 66.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.675 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 526' ' ' SER . . . . . 0.528 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 28.2 t -85.04 -38.71 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.1 m -66.08 -35.75 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 528' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 65.7 mt -65.0 -42.37 94.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.51 -31.29 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 530' ' ' GLU . . . . . 0.97 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.37 -54.43 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.37 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 532' ' ' TYR . . . . . 0.677 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 17.2 m-85 -50.26 -86.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 533' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.74 40.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . 0.97 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 29.0 mmtp -56.96 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.549 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.5 p -34.81 -57.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -50.39 -53.22 30.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -53.29 -44.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 539' ' ' ILE . . . . . 0.469 HG21 HG13 ' A' ' 196' ' ' VAL . 91.3 mt -61.78 -36.03 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.46 -41.94 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.656 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -69.82 -17.13 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.35 48.0 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.458 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.12 -51.42 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.441 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 544' ' ' ARG . . . . . 0.765 ' HG2' ' O ' ' A' ' 135' ' ' HIS . 2.1 tmt_? -141.81 170.12 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.661 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 545' ' ' SER . . . . . 0.642 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.7 t -142.18 137.87 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 546' ' ' ILE . . . . . 0.544 HG23 ' N ' ' B' ' 547' ' ' ASP . 21.1 tt -69.05 -43.56 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 547' ' ' ASP . . . . . 0.544 ' N ' HG23 ' B' ' 546' ' ' ILE . 64.8 t0 -82.91 138.56 33.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.43 122.06 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 551' ' ' ASP . 73.7 mt -79.5 112.7 30.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.3 Cg_exo -46.49 80.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.926 2.418 . . . . 0.0 112.085 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 54.6 p-10 -25.37 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 552' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 43.6 p-10 -129.85 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -85.25 -24.81 27.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.67 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 558' ' ' LEU . 87.5 tttt -52.59 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 555' ' ' TYR . . . . . 0.548 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.4 m-85 -45.25 -56.66 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.643 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -57.6 -46.9 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.732 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.83 -29.69 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.9 tp -77.76 -30.3 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -73.62 -36.36 65.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.682 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' B' ' 560' ' ' ARG . 50.8 ttt-85 -58.2 -40.52 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 561' ' ' GLU . . . . . 0.947 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.0 mm-40 -67.84 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.743 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 82.5 mt -49.11 -40.65 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.683 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 563' ' ' SER . . . . . 0.797 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.9 m -61.19 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.694 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.671 ' NE2' HE22 ' B' ' 568' ' ' GLN . 54.2 tt0 -36.72 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.947 HG23 ' O ' ' B' ' 561' ' ' GLU . 64.4 t -72.14 -42.63 67.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.625 ' N ' HD22 ' B' ' 566' ' ' LEU . 4.0 mm? -81.53 -35.55 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.5 p -70.25 -19.67 63.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 568' ' ' GLN . . . . . 0.671 HE22 ' NE2' ' B' ' 564' ' ' GLN . 79.9 mt-30 -117.47 6.62 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 22.1 ttm180 -160.99 -141.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.498 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 570' ' ' GLN . . . . . 0.834 ' O ' HG22 ' B' ' 571' ' ' ILE . 39.1 tt0 139.78 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 571' ' ' ILE . . . . . 0.834 HG22 ' O ' ' B' ' 570' ' ' GLN . 13.9 tt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.517 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -49.79 -37.81 31.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 604' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' B' ' 409' ' ' ASP . 90.1 mttt -69.76 -52.18 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -55.05 -28.98 56.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -75.65 -53.62 8.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 607' ' ' MET . . . . . 0.483 ' CE ' ' OE2' ' C' ' 633' ' ' GLU . 46.9 ttp -72.81 -36.83 67.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -56.72 -16.01 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 609' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.69 13.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 610' ' ' LEU . . . . . 0.576 HD21 HG21 ' C' ' 618' ' ' VAL . 13.9 mt -66.22 1.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 611' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' C' ' 609' ' ' ALA . 62.8 tttp -102.04 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -70.39 -4.24 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 613' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.88 58.45 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 614' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.5 m-20 -63.89 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 615' ' ' LEU . . . . . 0.955 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.8 tm? -45.05 -17.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' C' ' 614' ' ' ASP . 95.9 m-20 -77.69 -27.59 50.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 617' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.47 -49.86 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 618' ' ' VAL . . . . . 0.576 HG21 HD21 ' C' ' 610' ' ' LEU . 9.9 p -62.85 -28.39 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 619' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 33.4 ttmt -66.21 -21.88 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.498 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 620' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 63.0 t0 -75.32 -45.49 39.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -60.92 -59.19 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.71 -27.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 623' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.73 -16.76 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.79 -76.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.8 82.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.7 pt-20 34.26 95.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.84 0.353 . . . . 0.0 110.598 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 627' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 54.6 p30 -140.97 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 628' ' ' VAL . . . . . 0.662 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.5 t -121.97 76.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -172.99 5.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 630' ' ' ARG . . . . . 0.414 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.6 mtt-85 -79.0 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 631' ' ' THR . . . . . 0.5 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.09 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.595 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 632' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' C' ' 631' ' ' THR . 40.7 tp -31.38 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.483 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 68.2 mm-40 -71.73 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.35 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 635' ' ' GLY . . . . . . . . . . . . . . . -163.45 22.72 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -127.91 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 637' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' C' ' 639' ' ' LEU . 12.7 mptt -108.42 157.0 37.63 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.67 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.855 2.37 . . . . 0.0 112.135 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 639' ' ' LEU . . . . . 0.479 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.76 -16.27 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.544 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -75.28 -43.83 49.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -71.68 -36.03 70.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 642' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -44.93 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.49 62.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 644' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.65 -35.63 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 5.3 p -160.91 65.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.601 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 646' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.03 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 647' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.1 mm100 51.62 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.325 . . . . 0.0 110.577 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 648' ' ' LEU . . . . . 0.949 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 7.03 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 649' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 647' ' ' GLN . 2.9 mp0 -115.79 -12.62 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.47 -36.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 1.106 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.31 -52.94 61.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.543 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 652' ' ' GLU . . . . . 0.77 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 91.0 mt-10 -56.18 -22.62 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.6 OUTLIER -75.83 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 654' ' ' LEU . . . . . 1.018 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.9 OUTLIER -41.45 6.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 10.6 tp -102.97 -47.87 4.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.27 -25.33 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 657' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' C' ' 658' ' ' GLY . 16.4 tptp -72.84 -90.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.508 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 658' ' ' GLY . . . . . 0.595 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.31 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 659' ' ' ALA . . . . . 0.709 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.07 33.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.599 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 660' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' C' ' 662' ' ' ASN . 90.1 m-20 -57.37 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 661' ' ' ILE . . . . . 0.709 ' H ' ' C ' ' C' ' 659' ' ' ALA . 0.0 OUTLIER -66.05 1.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 662' ' ' ASN . . . . . 1.102 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.5 p30 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 663' ' ' ALA . . . . . 0.752 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.15 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 664' ' ' PRO . . . . . 1.102 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 86.6 Cg_exo -46.98 120.83 4.48 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.928 2.419 . . . . 0.0 112.094 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -125.91 -50.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -78.79 -16.14 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 667' ' ' HIS . . . . . 0.555 ' N ' ' ND1' ' C' ' 667' ' ' HIS . 0.6 OUTLIER -80.48 -6.29 57.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 40.61 37.27 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 669' ' ' ILE . . . . . 0.522 HG22 ' O ' ' C' ' 667' ' ' HIS . 18.1 tt -176.89 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.57 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 670' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.19 168.7 10.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 671' ' ' PRO . . . . . 0.472 ' O ' ' OG ' ' C' ' 674' ' ' SER . 49.9 Cg_endo -72.51 -30.49 12.21 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.789 2.326 . . . . 0.0 112.109 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 23.7 tp -45.33 -49.11 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 673' ' ' LEU . . . . . 0.633 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.85 -27.79 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 674' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 19.5 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 675' ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.56 -30.04 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 676' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 13.2 t -47.16 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 677' ' ' TYR . . . . . 0.545 ' CD2' ' NZ ' ' B' ' 443' ' ' LYS . 1.2 m-85 -77.82 39.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -124.54 -28.68 3.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.0 m-70 -71.94 -53.58 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 0.0 110.55 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 681' ' ' VAL . . . . . 0.776 ' O ' HG22 ' C' ' 684' ' ' VAL . 10.7 m 43.28 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.1 m -67.45 -24.28 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 683' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 0.9 OUTLIER -91.0 -48.61 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 684' ' ' VAL . . . . . 0.776 HG22 ' O ' ' C' ' 681' ' ' VAL . 3.8 m -41.9 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 685' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' C' ' 687' ' ' LEU . 25.6 mtpp -62.55 -73.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.91 1.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 687' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.1 tp -81.85 -70.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 688' ' ' LEU . . . . . 0.692 HD12 ' O ' ' C' ' 691' ' ' GLY . 16.8 tp -45.64 -21.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.491 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 689' ' ' SER . . . . . 0.419 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.3 m -55.7 -21.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -99.58 -6.32 27.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 691' ' ' GLY . . . . . 1.081 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 693' ' ' ASP . . . . . 1.081 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.4 t0 33.19 -128.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -152.5 -23.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 5.4 m -156.53 73.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.5 t -93.51 -29.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -140.16 23.59 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.69 142.78 20.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 699' ' ' PRO . . . . . 0.66 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 84.6 Cg_exo -44.83 -27.74 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.845 2.363 . . . . 0.0 112.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 700' ' ' ASP . . . . . 0.66 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.8 t70 157.73 -112.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 701' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 702' ' ' LEU . . . . . 0.648 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.3 tp -53.83 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 81.9 p 16.2 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 704' ' ' ALA . . . . . 0.601 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.63 -18.59 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 705' ' ' LEU . . . . . 0.557 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.6 tp -62.89 -75.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.547 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 706' ' ' GLU . . . . . 0.401 ' HB3' HD13 ' C' ' 702' ' ' LEU . 15.4 tp10 -80.67 15.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.498 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 708' ' ' THR . . . . . 0.437 ' O ' ' OD1' ' C' ' 709' ' ' ASP . 56.9 p -139.77 -142.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 709' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 708' ' ' THR . 77.9 m-20 -148.87 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -72.57 151.84 42.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -71.54 -20.5 62.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.36 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 12.2 mt -70.02 -37.68 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -51.99 -29.95 22.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 716' ' ' LEU . . . . . 0.826 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 717' ' ' LEU . . . . . 0.826 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 11.9 mt 124.12 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.575 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 718' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 41.5 tp60 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.616 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 7' ' ' ARG . 57.2 ttt-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.17 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.0 p -45.88 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' VAL . 99.3 m-20 -64.93 -33.59 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.52 -39.31 87.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.8 mt-10 -67.61 -40.89 84.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.625 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -63.7 -35.91 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' ASP . 66.0 t -65.24 -43.77 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.53 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.412 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.3 mtm180 -61.62 -39.73 92.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.34 -47.39 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.9 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.67 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.9 -41.37 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.14 -44.84 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.66 -46.52 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 p -75.97 8.47 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.72 15.36 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.49 146.92 81.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.6 Cg_endo -68.2 167.56 21.67 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.751 2.301 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -70.97 116.22 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.095 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.44 35.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 42.8 mt-10 -149.28 37.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.781 0.324 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.91 -48.79 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -57.12 -57.35 12.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 42.0 mp0 -44.49 -54.43 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.78 -42.51 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.647 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 39.0 t80 -59.18 -50.88 72.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.03 -37.96 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.05 -42.12 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.04 -41.86 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.605 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.36 -54.82 41.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.36 -34.72 72.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.19 -49.81 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 67.1 t30 46.66 49.66 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.509 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 46.5 m-20 -168.64 79.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.649 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -51.85 -37.91 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.18 -44.17 71.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -77.35 -30.82 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.6 tp -62.73 -38.75 91.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.554 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.13 -35.59 80.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -40.97 -59.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.2 -56.82 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.5 87.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.34 -37.01 64.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.552 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.38 12.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -46.56 -56.57 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.63 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.564 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.3 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.04 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -46.95 -30.99 2.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.503 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.7 ttp -68.8 -66.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.87 10.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.619 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.5 mm100 -124.54 24.73 7.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.3 m-30 23.9 44.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.517 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.4 m -58.84 111.35 3.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.601 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.67 115.18 4.13 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.949 2.433 . . . . 0.0 112.199 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.631 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.3 p -109.42 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.631 ' N ' HG22 ' A' ' 65' ' ' VAL . 87.1 tttt -125.11 103.91 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.64 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.872 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.52 148.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.627 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.872 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.2 tm-20 -13.27 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.43 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.45 14.79 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.621 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.603 ' C ' ' O ' ' A' ' 70' ' ' TYR . 66.2 t0 20.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 1.055 ' O ' ' N ' ' A' ' 74' ' ' VAL . 9.5 t70 -98.74 19.43 14.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.4 mm100 -0.3 50.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.055 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.719 ' N ' HG22 ' A' ' 74' ' ' VAL . 57.6 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.526 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.5 mt -104.07 105.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.1 -176.92 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.79 -31.27 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.413 ' CE1' HD13 ' A' ' 155' ' ' ILE . 95.4 m-70 -64.03 -23.58 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.19 15.65 50.61 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -85.53 100.01 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 0.0 110.597 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 86' ' ' ARG . 56.0 tp -49.65 -51.5 37.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.65 25.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.734 0.302 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.18 -15.72 9.35 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.543 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.3 OUTLIER -108.38 168.75 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.586 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.55 -170.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' GLY . 63.9 mt -118.3 157.4 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.699 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.5 t0 -139.38 88.99 12.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.434 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -60.95 -36.68 81.87 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.827 2.351 . . . . 0.0 112.033 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.45 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.674 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.4 t-20 -76.46 -20.4 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.699 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 52.9 mtmt 62.81 62.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.658 HD13 ' OD1' ' A' ' 92' ' ' ASN . 24.1 pt -146.44 154.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.828 ' O ' ' N ' ' A' ' 109' ' ' GLN . 3.8 t -92.71 133.05 36.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.707 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.0 p90 -140.15 136.65 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.694 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 17.7 ttmm -88.71 113.38 24.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.556 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.883 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.9 t80 -82.63 133.08 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.605 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 102' ' ' ARG . 9.0 t70 -104.59 90.17 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.516 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.43 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -47.43 -81.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.86 156.34 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -88.88 2.27 54.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 104' ' ' GLU . 48.9 mp0 -117.24 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.3 m -95.56 -164.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.79 54.49 0.28 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.539 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.825 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.55 -177.74 3.26 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.791 2.328 . . . . 0.0 112.123 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.828 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.7 mt-30 -160.15 124.51 2.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.09 131.0 17.09 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.818 2.346 . . . . 0.0 112.045 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -122.89 102.44 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.45 88.45 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 82.1 p -46.91 164.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.07 -30.05 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.93 35.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.78 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.11 3.38 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' GLN . 10.6 mmtp -54.03 -41.9 68.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.477 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' LYS . 84.2 mt-30 -39.17 -55.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -62.55 -47.56 83.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.1 tmm_? -53.94 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.567 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.9 m-20 -25.46 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.01 -67.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.14 -48.49 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.446 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.1 t70 -40.48 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 32.0 m -47.97 -46.24 32.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.85 -12.21 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.641 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.42 -32.77 74.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.609 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.57 -39.3 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.547 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.0 t80 -54.74 -38.79 67.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 134' ' ' ASP . 88.3 t -74.75 -40.54 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.49 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.3 mttt -76.14 25.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.58 7.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.702 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.7 m80 -151.07 -21.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.8 m-85 -114.74 106.44 52.02 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.463 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.57 -57.15 2.36 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.75 2.3 . . . . 0.0 112.081 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -127.55 50.1 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.562 ' HB2' HD21 ' A' ' 75' ' ' LEU . 50.2 m-85 -135.06 158.14 45.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.51 162.27 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.6 m -161.35 97.36 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.3 t -75.74 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.579 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.6 m-85 -120.22 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.553 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.76 84.5 0.37 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -123.76 167.43 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.2 t -107.63 115.43 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.609 HG22 ' OD2' ' A' ' 149' ' ' ASP . 14.0 mt -91.24 104.12 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.609 ' OD2' HG22 ' A' ' 148' ' ' ILE . 3.0 p30 46.63 54.19 9.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.89 -62.78 4.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -53.79 129.85 34.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.644 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.631 ' HB3' HD22 ' A' ' 117' ' ' LEU . 35.0 mt-30 -85.82 150.49 24.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.719 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.1 t -155.27 146.11 22.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.719 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 179' ' ' PHE . 4.8 mp -108.46 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.13 117.1 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 115.99 27.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.295 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 85.7 m -106.1 135.41 47.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 158' ' ' ILE . 13.8 mt -122.76 137.73 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.192 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.519 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.37 151.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 0.0 111.051 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.88 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.212 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.62 170.62 15.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.964 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.0 mm-40 -148.66 77.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.43 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.983 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.465 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.96 66.08 0.73 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' PRO . . . . . 0.673 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.2 Cg_endo -60.72 -52.03 4.23 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.733 2.289 . . . . 0.0 112.144 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.91 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . 0.673 ' N ' ' O ' ' A' ' 165' ' ' PRO . 11.9 m120 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.834 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 57.3 m-85 70.02 80.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.834 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.4 p-90 158.76 127.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.95 162.3 33.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.38 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.82 163.15 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.619 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 26.9 ttp180 -165.73 136.61 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' TRP . . . . . 0.733 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.5 t-105 -107.53 138.91 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.503 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 56.0 mtm180 -125.37 152.27 45.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.199 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.32 111.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.635 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.7 tt0 -116.42 124.7 50.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.114 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.706 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 67.9 m95 -120.61 116.93 26.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.944 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.57 119.85 37.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.719 ' O ' ' HA ' ' A' ' 153' ' ' THR . 33.5 m-85 -117.53 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.755 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.679 ' O ' ' O ' ' A' ' 179' ' ' PHE . 17.6 p -50.11 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 182' ' ' THR . 0.1 OUTLIER -164.33 151.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.922 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.4 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.47 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 1.062 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 89.0 Cg_exo -34.26 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.415 2.743 . . . . 0.0 112.738 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . 0.922 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.1 Cg_endo -79.8 -4.35 13.36 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.14 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' THR . . . . . 1.06 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.151 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.83 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.931 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 1.032 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 24.8 mp0 -106.72 -115.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.271 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.7 t 145.65 173.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' ALA . . . . . 0.766 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.407 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.63 2.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.75 115.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.533 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.2 mp -85.49 157.83 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -150.39 147.82 28.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.747 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . 0.555 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 68.1 mt -149.49 134.08 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.221 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -142.31 130.26 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.949 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.69 136.61 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.158 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . 0.777 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.955 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.7 t80 -145.6 87.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.307 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.769 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.5 p90 -100.04 87.74 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' GLU . . . . . 0.802 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 23.9 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' ASP . . . . . 0.802 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.2 m-20 114.86 2.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.399 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.69 -129.11 1.08 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.5 t30 -172.85 99.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.583 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.05 129.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' GLN . . . . . 0.705 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.6 mt-30 -136.78 154.08 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.479 HD22 ' OH ' ' A' ' 247' ' ' TYR . 13.0 tp -122.25 87.19 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.696 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' VAL . . . . . 0.534 HG21 HE21 ' B' ' 319' ' ' GLN . 86.5 t -90.06 122.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 47.4 t -149.61 147.21 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' HIS . . . . . 0.424 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 34.6 p80 -157.87 145.09 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.212 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -135.45 129.07 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.903 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' ' 191' ' ' VAL . 66.0 m-20 -103.55 129.82 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.259 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 213' ' ' GLN . 96.4 mt -127.16 154.85 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.916 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' GLN . . . . . 0.441 ' N ' HG22 ' A' ' 212' ' ' ILE . 58.3 tt0 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.339 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 33.9 t70 -118.84 166.09 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.705 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 1.032 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 19.8 p -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' VAL . . . . . 1.151 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.7 p -91.93 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' GLN . . . . . 1.06 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.9 pt20 -102.6 128.02 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' VAL . . . . . 1.062 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 64.6 t -86.03 137.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . 0.963 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.3 t -130.98 -98.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.27 -163.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' ASP . . . . . 0.463 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.4 p-10 -86.85 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . 0.463 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 87.6 t -70.09 -24.73 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -73.92 -56.78 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.963 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.9 p -54.64 -36.87 65.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.54 -57.1 14.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.483 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -57.09 -30.52 64.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.374 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -67.61 -38.76 84.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.438 ' CE1' HG11 ' A' ' 216' ' ' VAL . 38.4 m-85 -67.74 -53.94 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.389 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' ILE . . . . . 0.434 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.2 -27.32 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.359 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 234' ' ' ASN . 65.7 tttm -74.84 -36.71 62.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 231' ' ' ILE . . . . . 0.426 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.5 mt -67.5 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 232' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' A' ' 177' ' ' TRP . 54.5 mt -70.05 -44.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -57.1 -47.03 82.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 234' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 230' ' ' LYS . 3.2 m-80 -69.6 -43.89 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.96 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.21 -44.12 95.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 237' ' ' ASN . . . . . 0.446 ' OD1' ' NH2' ' B' ' 544' ' ' ARG . 93.8 m-20 -60.01 -40.21 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.75 -34.35 73.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -68.46 -44.44 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -68.16 -38.98 82.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 241' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 19.6 m -61.5 -45.7 93.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.57 71.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.24 -47.49 73.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.67 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -66.84 -42.97 84.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 246' ' ' ASN . . . . . 0.612 HD21 ' CB ' ' B' ' 484' ' ' SER . 51.9 m-20 -62.13 -34.6 76.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 247' ' ' TYR . . . . . 0.479 ' OH ' HD22 ' A' ' 206' ' ' LEU . 2.7 m-85 -64.89 -31.96 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -73.21 -50.87 20.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 249' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 253' ' ' THR . 12.4 m -64.8 -34.78 79.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 26.8 mtp -72.93 -14.44 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.8 p -112.99 -10.13 13.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 252' ' ' ASP . . . . . 0.629 ' O ' ' OG1' ' A' ' 253' ' ' THR . 98.1 m-20 -132.14 47.75 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.566 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 253' ' ' THR . . . . . 0.629 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.9 m 175.75 -79.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 254' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 10.4 m -53.5 -61.28 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -47.65 -57.56 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.16 -11.84 34.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.22 -18.24 30.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.03 -91.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 259' ' ' ARG . . . . . 0.672 HH22 ' CA ' ' B' ' 521' ' ' GLU . 0.0 OUTLIER -98.67 174.43 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.435 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 260' ' ' ARG . . . . . 0.54 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 20.0 mmm180 -109.17 153.2 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -83.7 -11.32 57.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.59 133.29 3.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 263' ' ' PRO . . . . . 0.707 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 74.5 Cg_exo -43.99 135.39 7.94 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.895 2.396 . . . . 0.0 112.057 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 264' ' ' VAL . . . . . 0.499 HG22 ' CD ' ' C' ' 604' ' ' LYS . 61.5 t -37.71 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 67.5 p -64.2 -5.4 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 266' ' ' ARG . . . . . 0.698 ' N ' ' O ' ' A' ' 263' ' ' PRO . 33.8 ttt180 54.15 55.53 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.9 m 173.3 114.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 53.3 mtpt -16.85 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 269' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 269' ' ' ILE . 3.8 mp -50.29 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.514 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.799 ' O ' ' N ' ' A' ' 273' ' ' LYS . 67.0 t0 -117.12 58.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 271' ' ' TRP . . . . . 0.602 ' C ' ' O ' ' A' ' 270' ' ' ASP . 72.3 m95 -21.5 -55.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 270' ' ' ASP . 73.8 m-20 -44.57 -25.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.65 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . 1.229 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.7 pttt -99.97 -7.73 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 274' ' ' ILE . . . . . 0.593 ' N ' ' O ' ' A' ' 271' ' ' TRP . 15.3 mm -103.13 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . 0.705 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.8 mt -111.07 44.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 276' ' ' SER . . . . . 1.29 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.9 p 141.97 -38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 1.229 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.9 t80 -30.99 43.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 278' ' ' LYS . . . . . 1.29 ' N ' ' O ' ' A' ' 276' ' ' SER . 17.8 tptm -107.66 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 1.046 ' O ' ' O ' ' A' ' 280' ' ' GLY . 3.0 pt 54.25 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 280' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.11 0.0 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.547 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 302' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 19.5 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -42.77 -51.26 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.479 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -55.27 -34.22 63.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 305' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.64 -49.13 78.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.23 -40.6 77.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.437 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.85 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.37 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 96.5 m -68.1 -37.16 80.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.395 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 309' ' ' ALA . . . . . 0.727 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.27 -42.06 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.341 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 310' ' ' LEU . . . . . 0.667 ' O ' HD23 ' B' ' 310' ' ' LEU . 1.1 tt -67.36 -38.41 84.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.339 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -68.36 -33.59 74.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.81 -43.76 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.0 mmm -64.4 -25.57 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 314' ' ' ARG . . . . . 0.415 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 63.9 mtp180 -82.31 -12.38 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 315' ' ' ARG . . . . . 0.593 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.5 mtt-85 -100.04 -46.87 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.518 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.66 147.73 95.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.59 128.38 20.8 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.859 2.372 . . . . 0.0 112.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 318' ' ' PRO . . . . . 0.437 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.3 Cg_endo -71.4 -4.1 14.3 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.913 2.409 . . . . 0.0 112.048 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . 0.534 HE21 HG21 ' A' ' 207' ' ' VAL . 9.3 pt20 -80.52 -17.87 50.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -123.9 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 321' ' ' ILE . . . . . 0.437 HG13 ' HA ' ' B' ' 318' ' ' PRO . 86.0 mt -63.4 -40.93 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -54.63 -54.41 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -54.67 -55.79 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.8 tp -47.13 -48.93 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.458 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.9 t -57.14 -49.68 75.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.382 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' LEU . . . . . 0.727 HD21 ' HB1' ' B' ' 309' ' ' ALA . 61.1 tp -55.5 -41.06 72.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.507 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.44 -41.2 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.423 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -37.96 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.27 -29.06 64.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.54 84.64 9.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.473 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -68.16 -5.52 15.0 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.723 2.282 . . . . 0.0 112.082 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 96.5 p -89.35 -6.44 56.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.613 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.476 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 89.8 mt -119.07 20.9 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' B' ' 340' ' ' LEU . 11.6 t -64.1 -55.9 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.34 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.7 -36.16 73.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . 0.476 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 74.6 mt -79.04 -28.63 43.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' LEU . . . . . 0.643 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.4 mt -81.54 12.47 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.3 p -144.08 -3.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 59.7 p -119.38 -15.49 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 84.1 t -105.88 120.03 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.82 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.447 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.94 28.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.41 125.28 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.835 2.357 . . . . 0.0 112.095 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.67 122.48 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -88.65 148.79 23.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.93 136.36 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' ALA . . . . . 0.722 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.65 157.65 33.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.437 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -114.31 143.35 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.602 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.975 ' O ' ' N ' ' B' ' 356' ' ' GLY . 67.7 m-20 -111.9 81.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 88.7 tttt -37.23 -63.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.583 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' VAL . . . . . 0.467 HG23 ' H ' ' B' ' 355' ' ' VAL . 0.7 OUTLIER -39.5 -52.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 355' ' ' VAL . . . . . 0.467 ' H ' HG23 ' B' ' 354' ' ' VAL . 43.7 t -92.94 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . 0.975 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.62 70.66 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 352' ' ' ASP . 13.4 tptm -115.06 154.93 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.613 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 358' ' ' ASP . . . . . 0.722 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 97.3 m-20 -94.84 143.1 26.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.696 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.6 p90 -139.68 135.74 33.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 64.9 mt -69.19 156.65 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.3 mt -108.58 158.57 17.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 362' ' ' CYS . . . . . 0.564 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 25.1 p -168.23 168.64 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 363' ' ' ASP . . . . . 0.643 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.9 t70 -75.56 -10.27 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 364' ' ' TYR . . . . . 0.623 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 42.1 m-85 -88.37 -18.17 28.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 365' ' ' ASN . . . . . 0.564 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 33.7 p-10 -123.25 24.79 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 366' ' ' ARG . . . . . 0.513 HH22 HD13 ' B' ' 340' ' ' LEU . 31.1 ttp180 -119.94 129.89 54.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -122.27 99.51 6.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.74 1.75 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.29 8.68 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 370' ' ' SER . . . . . 1.01 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.5 p -122.41 161.33 23.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.363 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 371' ' ' TYR . . . . . 1.116 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.1 m-85 -118.26 150.77 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.564 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . 0.598 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.3 ttp180 -98.81 124.75 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 373' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.4 t -79.54 133.71 59.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.808 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.84 -14.78 19.26 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.855 2.37 . . . . 0.0 112.241 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -85.9 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.6 p -83.15 -18.67 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.566 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 377' ' ' ASN . . . . . 0.593 ' HA ' ' O ' ' B' ' 373' ' ' SER . 42.6 t30 70.31 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -141.58 137.88 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 379' ' ' TYR . . . . . 1.116 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 34.9 m-85 -65.79 140.44 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 380' ' ' ASP . . . . . 0.76 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.41 6.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.347 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 381' ' ' PRO . . . . . 1.01 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.7 Cg_exo -65.41 120.02 7.15 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.952 2.435 . . . . 0.0 112.347 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -41.54 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.995 2.463 . . . . 0.0 112.306 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.662 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.5 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.51 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . 0.633 ' H ' HD23 ' B' ' 383' ' ' LEU . 76.3 mt-10 -111.71 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -116.97 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.556 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.71 47.39 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 387' ' ' ALA . . . . . 0.565 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.99 127.25 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.7 mtt -132.25 148.57 70.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.95 150.71 49.44 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.789 2.326 . . . . 0.0 112.149 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 142.91 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.59 -43.79 5.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -67.9 -37.79 82.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.491 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.4 tp -70.9 -42.42 69.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.564 ' NH1' ' OE1' ' B' ' 397' ' ' GLU . 25.1 tpt180 -55.34 -36.84 66.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -63.44 -46.65 85.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.42 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.302 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 397' ' ' GLU . . . . . 0.564 ' OE1' ' NH1' ' B' ' 394' ' ' ARG . 42.0 tt0 -67.76 -38.13 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.0 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.66 -37.03 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.357 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.96 94.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.399 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 401' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 58.3 m-80 -63.89 -39.01 93.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.362 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -72.17 -40.39 67.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.0 79.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -69.31 -29.22 67.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.59 -38.85 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -77.09 -32.85 56.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.354 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.8 -18.61 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 408' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -83.86 -35.48 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.16 -8.94 58.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.566 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 410' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 55.1 mt -95.86 -17.84 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 411' ' ' TYR . . . . . 0.707 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.06 3.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 90.9 m-85 -100.55 -25.97 14.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 413' ' ' GLU . . . . . 0.416 ' OE1' HG21 ' A' ' 264' ' ' VAL . 26.1 tp10 63.58 24.3 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 414' ' ' GLY . . . . . 0.463 ' O ' ' CD ' ' B' ' 408' ' ' ARG . . . 162.74 -154.48 25.45 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.4 -163.49 52.94 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.8 t -128.7 153.73 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 39.9 t -143.59 148.46 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.67 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.4 m -148.17 143.99 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 55.9 t -132.86 130.23 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.545 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 59.6 m-85 -128.47 132.46 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.366 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.411 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.2 mt -119.66 158.39 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 422' ' ' TRP . . . . . 0.978 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 33.0 p90 -154.47 110.52 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.513 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -43.01 159.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 424' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' B' ' 429' ' ' ALA . 57.1 mt -127.92 -147.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -87.29 -49.87 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.77 30.75 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.66 2.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.77 154.05 4.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 429' ' ' ALA . . . . . 0.978 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 430' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.72 35.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 431' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.6 p -130.07 126.38 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 432' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.35 113.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' B' ' 450' ' ' SER . 55.2 mt -102.85 143.2 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 434' ' ' ILE . . . . . 0.568 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 30.9 mt -148.72 119.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -122.55 127.53 49.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 436' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' B' ' 437' ' ' ALA . 0.0 OUTLIER -137.19 119.59 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.548 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' B' ' 436' ' ' LYS . . . -103.9 138.18 40.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.1 179.48 45.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 439' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' B' ' 441' ' ' SER . 5.5 t70 -50.72 128.08 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 441' ' ' SER . . . . . 0.571 ' N ' ' OD1' ' B' ' 439' ' ' ASP . 45.1 p -110.35 -4.31 15.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.575 ' NZ ' ' NE2' ' C' ' 640' ' ' HIS . 42.5 mmtt -89.19 153.92 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.485 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 443' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' C' ' 677' ' ' TYR . 38.5 mttp -56.93 -43.8 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 18.1 mt -95.15 135.94 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -105.74 154.72 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.36 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.44 24.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.49 130.62 14.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.206 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 448' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.1 t-105 -114.81 116.25 28.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 449' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 474' ' ' MET . 0.9 OUTLIER -109.47 127.22 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 450' ' ' SER . . . . . 0.568 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 0.9 OUTLIER -115.98 122.69 46.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 0.0 110.908 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.85 100.79 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 452' ' ' HIS . . . . . 0.754 ' CG ' ' HG ' ' B' ' 471' ' ' SER . 13.3 m-70 -108.69 132.47 53.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.83 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 67.2 t -128.77 95.65 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 454' ' ' VAL . . . . . 0.425 HG22 ' N ' ' B' ' 455' ' ' GLU . 11.7 p -96.71 153.63 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 455' ' ' GLU . . . . . 0.425 ' N ' HG22 ' B' ' 454' ' ' VAL . 75.4 mt-10 -131.84 102.21 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.31 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.06 139.63 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 458' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 76.1 mt-10 -40.31 146.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 459' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.9 mmtp -109.33 141.98 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.96 -54.18 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.6 p -126.7 146.5 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 462' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.7 48.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 59.13 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 464' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.8 t -82.25 123.62 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.443 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 465' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.77 151.89 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 466' ' ' HIS . . . . . 0.527 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.4 t-160 -92.93 126.54 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.352 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -103.15 139.47 38.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . 0.403 ' CE ' ' NE2' ' B' ' 496' ' ' GLN . 87.8 tttt -135.81 86.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.149 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 469' ' ' LEU . . . . . 0.634 HD12 ' H ' ' B' ' 470' ' ' THR . 58.8 tp -82.15 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 470' ' ' THR . . . . . 0.634 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.2 m -157.87 62.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . 0.754 ' HG ' ' CG ' ' B' ' 452' ' ' HIS . 6.4 m -64.68 174.63 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.073 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 472' ' ' THR . . . . . 0.501 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.6 m -168.78 87.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.136 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 473' ' ' VAL . . . . . 0.466 HG11 ' CH2' ' B' ' 448' ' ' TRP . 76.8 t -69.66 143.79 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 474' ' ' MET . . . . . 0.467 ' O ' ' OD1' ' B' ' 449' ' ' ASP . 10.3 mtp -124.75 95.96 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.186 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 475' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 8.8 tp -86.65 131.15 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -125.27 130.28 51.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 10.0 mt -137.37 124.64 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 478' ' ' GLN . . . . . 0.527 ' CD ' HD21 ' B' ' 488' ' ' ASN . 54.0 tt0 -138.13 158.13 44.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 479' ' ' THR . . . . . 0.465 HG22 ' C ' ' B' ' 478' ' ' GLN . 0.5 OUTLIER -163.41 127.5 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.628 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 480' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 14.0 m120 -108.21 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 16.2 tptm -107.64 146.56 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.24 -45.94 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.66 -25.27 68.77 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 484' ' ' SER . . . . . 0.612 ' CB ' HD21 ' A' ' 246' ' ' ASN . 73.2 m -125.95 14.9 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 486' ' ' THR . . . . . 0.446 ' N ' ' O ' ' B' ' 484' ' ' SER . 72.2 p -126.06 113.96 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 23.5 ttt -125.12 118.07 25.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 488' ' ' ASN . . . . . 0.527 HD21 ' CD ' ' B' ' 478' ' ' GLN . 25.7 m120 -119.0 123.96 45.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 489' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 15.8 tp -131.64 76.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.86 21.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 491' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.63 11.06 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 492' ' ' SER . . . . . 0.646 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 80.5 p 163.23 135.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.54 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 494' ' ' THR . . . . . 0.501 ' OG1' HG23 ' B' ' 472' ' ' THR . 55.2 m -127.14 142.84 51.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -149.95 128.7 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 496' ' ' GLN . . . . . 0.403 ' NE2' ' CE ' ' B' ' 468' ' ' LYS . 45.8 tt0 -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 51.8 ttp -160.08 130.51 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.58 141.58 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -172.18 145.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 500' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.7 m-20 -91.25 125.19 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 501' ' ' GLU . . . . . 0.434 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.5 tt0 -120.66 160.21 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.8 m -94.29 131.84 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.65 122.39 50.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 19.7 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.97 -35.84 77.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 506' ' ' SER . . . . . 0.416 ' O ' ' OD1' ' A' ' 272' ' ' ASN . 78.2 p -83.66 -19.87 34.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.3 t -135.43 73.46 62.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.55 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.765 2.31 . . . . 0.0 112.168 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -58.75 -62.7 1.67 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.0 mt -42.72 -49.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.21 72.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 512' ' ' ASN . . . . . 0.434 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.8 m-20 -62.95 -48.19 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.1 -33.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.7 -46.61 74.06 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.32 -44.36 84.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.661 0.267 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.23 -52.54 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.558 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 50.2 t -55.45 -47.13 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.92 -51.69 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.758 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.59 -37.49 87.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 27.5 tpp -64.36 -49.45 71.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.695 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 521' ' ' GLU . . . . . 0.672 ' CA ' HH22 ' A' ' 259' ' ' ARG . 4.4 mt-10 -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.88 -41.5 78.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.57 -38.51 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 92.7 mt -74.38 -24.34 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 525' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.69 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.693 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 526' ' ' SER . . . . . 0.526 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 4.9 t -84.99 -38.77 18.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.9 m -66.04 -35.71 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.681 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 528' ' ' LEU . . . . . 0.692 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 40.2 mt -64.99 -42.36 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.55 -31.32 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 530' ' ' GLU . . . . . 0.948 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.39 -54.41 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.42 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 532' ' ' TYR . . . . . 0.692 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 14.0 m-85 -50.26 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.574 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.84 40.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . 0.948 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.06 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 535' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.9 tptt -56.9 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.501 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.622 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -57.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.35 -53.31 29.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.644 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.14 -44.97 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 539' ' ' ILE . . . . . 0.471 HG21 HG13 ' A' ' 196' ' ' VAL . 90.9 mt -61.72 -36.04 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.666 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.46 -42.0 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -69.73 -17.18 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.37 48.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.463 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 15.1 mt -68.08 -51.44 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.715 0.293 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 544' ' ' ARG . . . . . 0.739 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.663 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 545' ' ' SER . . . . . 0.739 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 35.2 t -142.21 137.88 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.15 -43.48 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.86 138.63 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.627 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 548' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.11 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.44 112.64 30.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' B' ' 551' ' ' ASP . 72.1 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.869 2.379 . . . . 0.0 112.126 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' B' ' 550' ' ' PRO . 52.5 p-10 -25.27 145.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.95 116.18 18.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.3 -24.72 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 558' ' ' LEU . 1.8 mptm? -52.63 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -45.23 -56.59 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.65 -46.85 83.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 557' ' ' GLN . . . . . 0.408 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.7 tm0? -65.84 -29.65 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.5 tp -77.81 -30.29 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.702 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -73.65 -36.29 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.688 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.2 -40.58 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 561' ' ' GLU . . . . . 0.574 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.4 mt-10 -67.84 -61.68 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.884 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.4 mt -49.12 -40.72 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.5 m -61.15 -76.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.3 pt20 -36.69 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.884 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.07 -42.69 67.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.637 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' B' ' 563' ' ' SER . 49.1 mt -81.49 -35.59 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.4 p -70.31 -19.57 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -117.54 6.64 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 569' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 24.3 ttp180 -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 570' ' ' GLN . . . . . 0.824 ' O ' HG22 ' B' ' 571' ' ' ILE . 40.0 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 571' ' ' ILE . . . . . 0.824 HG22 ' O ' ' B' ' 570' ' ' GLN . 13.8 tt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.46 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 601' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.6 m 62.11 5.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.53 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -49.76 -37.86 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 604' ' ' LYS . . . . . 0.499 ' CD ' HG22 ' A' ' 264' ' ' VAL . 64.9 tttp -69.66 -52.26 27.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -55.09 -28.92 56.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -75.64 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 607' ' ' MET . . . . . 0.411 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 12.0 ptt? -72.77 -36.82 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 608' ' ' TRP . . . . . 0.411 ' N ' ' CG ' ' C' ' 607' ' ' MET . 73.6 t-105 -56.74 -16.08 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 609' ' ' ALA . . . . . 0.575 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.44 -50.58 13.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 610' ' ' LEU . . . . . 0.73 ' CD2' HG11 ' C' ' 618' ' ' VAL . 10.8 mt -66.31 1.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 611' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' C' ' 609' ' ' ALA . 18.8 mmtt -102.05 -66.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 612' ' ' ASN . . . . . 0.405 ' OD1' ' NE1' ' C' ' 608' ' ' TRP . 4.2 m120 -70.41 -4.18 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 613' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.97 58.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 614' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' C' ' 616' ' ' ASP . 3.6 m-20 -63.96 49.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 615' ' ' LEU . . . . . 0.986 ' O ' HD13 ' C' ' 615' ' ' LEU . 3.1 tm? -45.0 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 616' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' C' ' 614' ' ' ASP . 57.4 m-20 -77.78 -27.46 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 617' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' C' ' 614' ' ' ASP . 75.7 mm-40 -81.53 -49.87 10.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 618' ' ' VAL . . . . . 0.73 HG11 ' CD2' ' C' ' 610' ' ' LEU . 1.4 m -62.86 -28.34 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 619' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.8 tttm -66.23 -21.87 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 620' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 34.3 t70 -75.38 -45.46 39.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 621' ' ' TYR . . . . . 0.961 ' OH ' HG22 ' C' ' 628' ' ' VAL . 0.1 OUTLIER -60.91 -59.15 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 622' ' ' VAL . . . . . 0.882 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.4 p -57.75 -27.92 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 623' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.66 -16.76 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -64.76 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.38 0.1 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.4 mt-10 34.2 95.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.584 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.96 62.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 628' ' ' VAL . . . . . 0.961 HG22 ' OH ' ' C' ' 621' ' ' TYR . 1.9 t -121.98 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -173.06 5.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -78.99 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.538 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 25.7 p -82.08 87.61 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.0 tp -31.24 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -71.7 -76.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.75 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 635' ' ' GLY . . . . . 0.5 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.79 0.18 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 636' ' ' ARG . . . . . 0.576 ' NH2' ' OG1' ' A' ' 253' ' ' THR . 91.5 mtt180 -127.97 164.89 21.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.494 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 637' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.1 OUTLIER -108.4 156.98 37.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.614 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 638' ' ' PRO . . . . . 0.423 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 58.2 Cg_endo -73.59 24.98 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.849 2.366 . . . . 0.0 112.158 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 639' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.72 -16.31 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 640' ' ' HIS . . . . . 0.575 ' NE2' ' NZ ' ' B' ' 442' ' ' LYS . 77.5 t60 -75.2 -43.85 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.7 -36.01 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.87 -44.99 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.44 62.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 5.0 t70 -60.7 -35.65 76.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 645' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 28.0 t -160.82 65.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.621 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.13 4.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 647' ' ' GLN . . . . . 0.435 HE21 ' CD ' ' C' ' 649' ' ' GLU . 24.7 mt-30 51.62 4.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.57 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 648' ' ' LEU . . . . . 0.922 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.2 OUTLIER 71.55 6.95 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 649' ' ' GLU . . . . . 0.435 ' CD ' HE21 ' C' ' 647' ' ' GLN . 8.4 pt-20 -115.68 -12.68 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 650' ' ' ILE . . . . . 0.561 HG21 HD23 ' C' ' 610' ' ' LEU . 1.0 OUTLIER -87.44 -36.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 1.09 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 652' ' ' GLU . . . . . 0.814 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 18.4 pt-20 -56.15 -22.62 29.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 653' ' ' PHE . . . . . 0.986 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.0 t80 -75.84 -97.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 654' ' ' LEU . . . . . 0.715 HD23 ' H ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.44 6.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 655' ' ' LEU . . . . . 0.986 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.5 tt -102.95 -47.93 4.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 656' ' ' LEU . . . . . 0.579 ' N ' HD23 ' C' ' 655' ' ' LEU . 56.8 tp -59.21 -25.38 63.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -72.8 -90.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 658' ' ' GLY . . . . . 0.589 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.32 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 659' ' ' ALA . . . . . 0.708 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.11 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 660' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.4 10.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 661' ' ' ILE . . . . . 0.708 ' H ' ' C ' ' C' ' 659' ' ' ALA . 11.7 pt -66.08 1.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.496 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 662' ' ' ASN . . . . . 1.102 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.72 -18.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.66 0.28 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 664' ' ' PRO . . . . . 1.102 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.4 Cg_exo -46.97 120.85 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.828 2.352 . . . . 0.0 112.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -125.91 -50.48 1.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -78.86 -16.08 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 667' ' ' HIS . . . . . 0.5 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.56 -6.23 57.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 668' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' C' ' 668' ' ' HIS . 86.5 t60 40.49 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 669' ' ' ILE . . . . . 0.414 HG22 ' O ' ' C' ' 667' ' ' HIS . 6.0 tt -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 670' ' ' THR . . . . . 0.407 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.0 OUTLIER -96.19 168.67 10.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 671' ' ' PRO . . . . . 0.498 ' HA ' ' OG ' ' C' ' 674' ' ' SER . 49.5 Cg_endo -72.46 -30.48 12.36 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.828 2.352 . . . . 0.0 112.132 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 7.5 tt -45.34 -49.1 13.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 673' ' ' LEU . . . . . 0.618 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 44.6 mt -67.82 -27.85 67.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 674' ' ' SER . . . . . 0.498 ' OG ' ' HA ' ' C' ' 671' ' ' PRO . 23.8 m -51.75 -40.9 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 675' ' ' ALA . . . . . 0.424 ' HB3' ' CG2' ' C' ' 684' ' ' VAL . . . -74.55 -30.0 61.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 676' ' ' VAL . . . . . 0.618 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.1 t -47.14 -66.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.512 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 677' ' ' TYR . . . . . 0.458 ' HB3' ' HZ2' ' B' ' 443' ' ' LYS . 0.3 OUTLIER -77.8 39.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 678' ' ' GLU . . . . . 0.446 ' OE1' ' OD2' ' C' ' 644' ' ' ASP . 31.3 tp10 -124.51 -28.64 3.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.28 -11.31 72.43 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 680' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' C' ' 682' ' ' SER . 17.8 m80 -72.01 -53.46 12.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.23 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 682' ' ' SER . . . . . 0.904 ' N ' ' O ' ' C' ' 680' ' ' HIS . 78.1 p -67.5 -24.25 65.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 683' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 1.0 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 684' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' C' ' 675' ' ' ALA . 64.2 t -41.91 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.545 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 685' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' C' ' 687' ' ' LEU . 19.8 tptp -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.93 1.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 687' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.5 tt -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 688' ' ' LEU . . . . . 0.486 HD12 ' O ' ' C' ' 693' ' ' ASP . 7.1 tt -45.68 -21.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 689' ' ' SER . . . . . 0.426 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.6 t -55.75 -21.56 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -99.68 -6.26 27.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 691' ' ' GLY . . . . . 1.092 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 692' ' ' ALA . . . . . 0.577 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.16 18.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 693' ' ' ASP . . . . . 1.092 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.7 OUTLIER 33.13 -128.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -152.47 -23.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 38.0 m -156.53 73.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.552 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.5 -29.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -140.18 23.57 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.77 20.32 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 699' ' ' PRO . . . . . 0.785 ' HG2' HD22 ' C' ' 702' ' ' LEU . 89.3 Cg_exo -44.8 -27.76 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 0.0 112.11 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 700' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 21.7 t70 157.72 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.37 89.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 702' ' ' LEU . . . . . 0.785 HD22 ' HG2' ' C' ' 699' ' ' PRO . 8.3 mp -53.9 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 91.0 m 16.15 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 704' ' ' ALA . . . . . 0.424 ' N ' HG22 ' C' ' 703' ' ' THR . . . -106.67 -18.65 13.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 705' ' ' LEU . . . . . 0.627 HD23 HD23 ' C' ' 717' ' ' LEU . 0.3 OUTLIER -62.83 -75.51 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 706' ' ' GLU . . . . . 0.581 ' HB3' ' HG ' ' C' ' 702' ' ' LEU . 3.5 tt0 -80.67 15.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.43 -70.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 708' ' ' THR . . . . . 0.641 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.7 m -139.79 -142.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 709' ' ' ASP . . . . . 0.641 ' H ' HG22 ' C' ' 708' ' ' THR . 78.4 m-20 -148.82 -4.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 710' ' ' ASN . . . . . 0.424 HD22 ' HB3' ' C' ' 712' ' ' ALA . 65.5 t30 -72.57 151.84 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.55 -20.52 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 712' ' ' ALA . . . . . 0.424 ' HB3' HD22 ' C' ' 710' ' ' ASN . . . -60.17 -60.41 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.666 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.02 -37.67 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -52.04 -29.93 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 716' ' ' LEU . . . . . 1.078 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.03 98.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 717' ' ' LEU . . . . . 1.078 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.2 mp 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 718' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.615 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.1 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -45.98 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.411 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.9 m-20 -64.89 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.45 -39.35 87.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.58 -40.93 84.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 13' ' ' LYS . 9.1 mtmp? -63.69 -35.92 82.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' ASP . 64.5 t -65.23 -43.79 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -61.53 -39.73 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -47.38 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.567 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.7 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.89 -41.34 91.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.16 -44.85 87.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.48 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.0 p -76.01 8.44 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.69 15.28 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.93 81.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.9 Cg_endo -68.16 167.54 21.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.808 2.338 . . . . 0.0 112.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -70.94 116.25 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.692 2.261 . . . . 0.0 112.108 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.15 21.44 35.54 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.547 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 52.1 mt-10 -149.3 37.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -73.85 -48.89 27.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -57.06 -57.39 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -44.5 -54.46 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 36' ' ' VAL . 54.8 t -60.78 -42.53 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 77.4 t80 -59.15 -50.88 72.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.04 -37.93 81.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.684 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.08 -42.07 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 32' ' ' VAL . 94.8 t -67.06 -41.83 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.595 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HE ' ' CD2' ' A' ' 46' ' ' LEU . 42.3 ttm180 -56.4 -54.85 40.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.28 -34.77 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -73.17 -49.8 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 HD22 ' B' ' 331' ' ' LEU . 13.6 tp -61.71 -32.6 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.464 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.58 49.71 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.9 m-20 -168.63 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.656 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -51.86 -37.87 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -54.2 -44.15 71.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.32 -30.81 54.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 36.9 tp -62.81 -38.64 91.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -40.92 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.581 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.91 48.65 0.92 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.13 -56.72 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.612 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.57 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -54.23 -37.08 64.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.36 12.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.474 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.55 -56.65 5.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 55' ' ' ALA . 59.4 tt0 -33.58 -45.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.02 -72.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -46.98 -30.96 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.611 ' SD ' ' N ' ' A' ' 60' ' ' ASP . 12.7 tmm? -68.84 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 57.8 m-20 -67.94 10.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 98.4 mm-40 -124.53 24.78 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.592 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.91 44.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 20.7 m -58.85 111.32 3.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.599 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.69 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.873 2.382 . . . . 0.0 112.208 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.435 HG11 ' CE1' ' A' ' 98' ' ' PHE . 34.0 m -109.44 165.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -125.21 103.93 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.66 ' O ' ' C ' ' A' ' 68' ' ' GLU . 1.6 mp -51.5 148.3 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.66 ' C ' ' O ' ' A' ' 67' ' ' ILE . 81.8 tt0 -13.28 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.44 75.1 0.32 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.798 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -137.48 14.84 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.619 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 62.1 t0 20.15 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 1.061 ' O ' ' N ' ' A' ' 74' ' ' VAL . 46.7 p-10 -98.82 19.43 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 23.6 mt-30 -0.23 50.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.487 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.061 ' N ' ' O ' ' A' ' 72' ' ' ASP . 10.3 p -63.93 173.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.886 HD22 ' C ' ' A' ' 74' ' ' VAL . 2.4 mm? -113.4 152.29 30.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.505 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -104.05 105.5 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 62' ' ' PHE . 16.5 p -130.15 -176.88 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.61 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -78.87 -31.24 45.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.562 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.0 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.23 15.7 50.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.51 100.08 11.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.77 0.319 . . . . 0.0 110.596 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.8 tp -49.67 -51.53 37.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -116.06 1.21 13.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.77 9.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -108.34 168.72 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.528 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 55.0 m-85 -114.51 -170.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.3 tp -118.33 157.39 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.697 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 5.7 t0 -139.35 89.05 12.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.569 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 24.2 Cg_exo -61.04 -36.63 81.35 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.847 2.364 . . . . 0.0 111.992 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -59.48 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.461 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.718 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.6 OUTLIER -76.44 -20.33 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.581 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.697 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 28.3 ttmt 62.75 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.515 ' CD1' ' CD2' ' A' ' 70' ' ' TYR . 21.7 pt -146.52 154.42 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.822 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.7 m -92.65 133.02 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.588 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.707 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 24.0 p90 -140.14 136.62 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.4 tttt -88.69 113.42 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.61 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.867 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 46.9 t80 -82.65 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.562 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 32.4 t0 -104.56 90.05 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.36 -67.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.0 tp -47.46 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.3 tpt180 -52.76 156.29 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -88.87 2.31 53.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -117.21 150.26 39.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.867 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.26 79.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 60.5 m -95.57 -164.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.72 54.55 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.556 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.822 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.55 -177.8 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.812 2.341 . . . . 0.0 112.083 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.13 124.6 2.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -47.17 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.885 2.39 . . . . 0.0 112.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 11.1 tm-20 -122.91 102.5 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 49.4 p-10 -75.48 88.43 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.417 ' H ' ' HD3' ' A' ' 93' ' ' LYS . 9.4 t -46.92 164.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.11 -30.02 58.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.649 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.92 35.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.75 -59.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.501 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.814 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 21.3 tp -104.09 3.32 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.521 ' HB2' ' HZ2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.466 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -39.18 -55.96 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.706 ' CD1' HD12 ' A' ' 117' ' ' LEU . 60.5 m95 -62.54 -47.6 83.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.563 ' O ' ' C ' ' A' ' 122' ' ' ASP . 3.0 tmm_? -53.9 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.563 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.4 t0 -25.51 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.489 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.3 m -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.442 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.42 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.56 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 81.2 p -47.99 -46.16 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.33 -51.43 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.83 -12.29 60.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.469 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.56 ' HB3' ' O ' ' A' ' 126' ' ' SER . 44.9 ttm180 -66.37 -32.81 74.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.56 -39.26 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -54.73 -38.81 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.465 ' C ' ' H ' ' A' ' 134' ' ' ASP . 99.2 t -74.79 -40.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.475 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.4 mttt -76.16 25.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.3 m-20 -147.58 7.63 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.532 ' OH ' ' CE2' ' A' ' 173' ' ' TRP . 85.0 m-85 -114.63 106.45 52.22 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.58 -57.24 2.3 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.829 2.352 . . . . 0.0 112.031 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.62 12.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.536 ' CZ ' ' OE1' ' A' ' 73' ' ' GLN . 61.7 m-85 -135.1 158.13 45.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.338 . . . . 0.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.36 28.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . 0.473 ' OG1' HD23 ' A' ' 75' ' ' LEU . 27.2 m -161.46 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 90' ' ' PRO . 41.5 t -75.73 143.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.594 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 43.3 m-85 -120.2 124.34 45.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.59 0.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -123.79 167.41 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.537 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 47.2 t -107.64 115.41 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 148' ' ' ILE . 1.2 tp -91.13 104.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 46.68 54.19 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.18 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.77 129.79 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.639 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 0.648 ' H ' HG21 ' A' ' 181' ' ' ILE . 8.7 mt-30 -85.76 150.51 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.472 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.962 HG23 ' C ' ' A' ' 179' ' ' PHE . 99.4 m -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.655 HD11 ' HB2' ' A' ' 120' ' ' TRP . 15.6 mm -108.49 109.98 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.436 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 155' ' ' ILE . 3.2 mp -98.08 117.05 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.88 116.08 27.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.209 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.0 m -106.14 135.43 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 4.9 mp -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.542 ' OE2' ' ND1' ' A' ' 161' ' ' HIS . 14.7 tm-20 -131.3 151.91 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.727 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.0 OUTLIER -170.94 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.186 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 8.0 p-80 -140.65 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.972 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.4 mm-40 -148.62 77.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.223 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -65.35 147.43 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.599 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 30.4 tp60 -167.93 66.08 0.74 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.349 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.2 Cg_exo -60.69 -52.09 4.18 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.803 2.335 . . . . 0.0 112.139 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . 0.687 ' N ' ' O ' ' A' ' 165' ' ' PRO . 58.0 t-20 -121.96 -10.48 8.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.832 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 44.1 m-85 70.11 80.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.832 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 9.3 p-90 158.81 127.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -136.02 162.39 33.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.566 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 0.1 OUTLIER -165.7 136.65 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.353 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' TRP . . . . . 0.727 ' N ' ' O ' ' A' ' 160' ' ' SER . 3.4 t-105 -107.6 138.92 42.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.429 ' HB3' ' CB ' ' A' ' 193' ' ' LYS . 39.5 ttt180 -125.41 152.26 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.165 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.425 ' HB2' ' NE1' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -166.3 111.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.015 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.9 tt0 -116.41 124.68 50.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.119 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 24.4 m95 -120.59 116.91 26.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.902 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -98.6 119.79 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.416 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.962 ' C ' HG23 ' A' ' 153' ' ' THR . 56.9 t80 -117.49 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.744 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.95 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.9 t -50.09 -131.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.577 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 182' ' ' THR . 9.9 tp -164.35 151.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.927 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.46 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.427 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 1.036 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 95.9 Cg_exo -34.32 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 123.434 2.756 . . . . 0.0 112.713 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . 0.927 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.9 Cg_endo -79.84 -4.34 13.33 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.805 2.336 . . . . 0.0 112.089 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' THR . . . . . 1.039 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.261 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.175 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.84 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.961 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 1.029 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 85.5 mt-30 -106.76 -115.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.217 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.1 t 145.67 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.79 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.447 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.813 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.7 p -165.73 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.501 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' LEU . . . . . 0.69 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 3.2 mp -85.57 157.82 20.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' LYS . . . . . 0.429 ' CB ' ' HB3' ' A' ' 174' ' ' ARG . 27.8 mttt -150.36 147.86 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 5.7 mt -149.49 134.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . 0.662 HE21 HE21 ' A' ' 205' ' ' GLN . 57.0 tt0 -142.33 130.24 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 70.6 t -132.67 136.61 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.157 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . 0.763 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 73.3 t60 -126.49 141.56 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 53.7 t80 -145.56 87.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.06 87.77 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 60.7 tt0 -129.47 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 87.6 m-20 114.78 2.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.7 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 203' ' ' ASN . 0.8 OUTLIER -172.84 99.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.636 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.0 129.19 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.526 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' GLN . . . . . 0.705 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.7 tt0 -136.77 154.15 50.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.707 HD12 ' OH ' ' A' ' 247' ' ' TYR . 4.7 tt -122.34 87.26 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.676 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' VAL . . . . . 0.486 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 11.2 t -90.14 122.27 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 22.9 t -149.59 147.2 27.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' HIS . . . . . 0.555 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 6.5 p80 -157.81 145.1 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -135.44 129.06 32.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 110.926 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' ASP . . . . . 0.454 ' OD1' HG23 ' A' ' 191' ' ' VAL . 63.4 m-20 -103.62 129.83 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.215 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.86 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.923 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.366 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' ASP . . . . . 0.627 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 93.0 m-20 -118.8 166.05 13.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.718 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 1.029 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 94.8 p -117.82 103.35 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' VAL . . . . . 1.175 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 97.9 t -91.9 166.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.677 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' GLN . . . . . 1.039 ' HA ' ' O ' ' A' ' 185' ' ' THR . 0.0 OUTLIER -102.65 128.06 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.618 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' VAL . . . . . 1.06 HG23 ' HB2' ' A' ' 186' ' ' ALA . 83.2 t -85.99 137.51 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.1 t -131.08 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 -163.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -86.8 -62.64 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.08 -24.75 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -73.91 -56.77 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 96.4 m -54.66 -36.84 65.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.09 14.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -57.06 -30.56 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.6 -38.77 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 10.6 t80 -67.72 -53.95 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.409 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' ILE . . . . . 0.647 ' O ' HG12 ' A' ' 232' ' ' ILE . 1.7 mp -52.11 -27.35 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.409 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -74.85 -36.69 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 231' ' ' ILE . . . . . 0.469 HG13 HG21 ' A' ' 216' ' ' VAL . 32.2 mm -67.55 -41.19 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.442 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 232' ' ' ILE . . . . . 0.647 HG12 ' O ' ' A' ' 229' ' ' ILE . 7.7 pt -70.14 -44.46 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.377 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' A' ' 236' ' ' GLU . 81.7 tt0 -57.05 -47.03 81.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.466 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -69.62 -43.88 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.428 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 236' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 233' ' ' GLU . 1.1 pp20? -60.25 -44.12 95.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.404 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 237' ' ' ASN . . . . . 0.578 ' ND2' ' OE2' ' A' ' 236' ' ' GLU . 9.7 m120 -60.07 -40.14 88.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.427 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -69.83 -34.33 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 239' ' ' TYR . . . . . 0.446 ' CZ ' HD11 ' A' ' 243' ' ' ILE . 45.0 t80 -68.5 -44.37 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -68.22 -39.0 82.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 20.0 m -61.38 -45.79 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.65 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 243' ' ' ILE . . . . . 0.446 HD11 ' CZ ' ' A' ' 239' ' ' TYR . 40.9 mt -69.19 -47.55 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.67 -34.2 73.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -66.95 -42.9 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 246' ' ' ASN . . . . . 0.42 ' O ' ' SD ' ' A' ' 250' ' ' MET . 98.3 m-20 -62.12 -34.62 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.512 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 247' ' ' TYR . . . . . 0.707 ' OH ' HD12 ' A' ' 206' ' ' LEU . 0.5 OUTLIER -64.92 -31.87 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -73.25 -50.87 19.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 249' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' A' ' 253' ' ' THR . 24.3 m -64.79 -34.84 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 31.2 mtp -72.83 -14.56 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.0 p -112.95 -10.09 13.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 252' ' ' ASP . . . . . 0.696 ' O ' ' OG1' ' A' ' 253' ' ' THR . 67.3 t0 -132.12 47.76 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.567 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 253' ' ' THR . . . . . 0.696 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 17.5 m 175.76 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 254' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 12.1 m -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -47.68 -57.47 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -64.27 -11.71 34.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.27 30.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -77.98 -91.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 259' ' ' ARG . . . . . 0.464 ' HD2' ' CH2' ' B' ' 448' ' ' TRP . 16.5 ptm180 -98.58 174.44 6.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.464 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 260' ' ' ARG . . . . . 0.566 ' NH1' ' OE1' ' C' ' 633' ' ' GLU . 27.0 mmt180 -109.16 153.19 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 261' ' ' GLN . . . . . 0.4 ' O ' HD12 ' A' ' 262' ' ' LEU . 10.9 pt20 -83.69 -11.28 57.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.2 OUTLIER -163.58 133.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.525 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 263' ' ' PRO . . . . . 0.719 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.1 Cg_exo -43.99 135.36 7.95 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.934 2.423 . . . . 0.0 112.059 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 264' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 265' ' ' THR . 6.3 m -37.72 -38.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 265' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 267' ' ' THR . 67.1 p -64.25 -5.39 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 63.3 ttt180 54.06 55.61 8.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.547 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.26 114.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.3 mttt -16.76 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 269' ' ' ILE . . . . . 0.421 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 10.8 tt -50.25 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.4 OUTLIER -117.15 58.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.521 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 271' ' ' TRP . . . . . 0.603 ' O ' ' N ' ' A' ' 274' ' ' ILE . 83.0 m95 -21.45 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.8 t-20 -44.59 -25.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . 1.243 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 63.3 mttp -99.95 -7.68 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 274' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 274' ' ' ILE . 2.0 mp -103.22 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.06 44.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.569 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 276' ' ' SER . . . . . 1.296 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.6 m 141.93 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 1.243 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.4 t80 -31.01 43.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 278' ' ' LYS . . . . . 1.296 ' N ' ' O ' ' A' ' 276' ' ' SER . 88.7 tttt -107.7 80.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 1.8 pt 54.23 3.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.48 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 302' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 10.7 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -42.72 -51.22 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -55.34 -34.15 63.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.474 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 305' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 302' ' ' SER . 95.7 mt-30 -60.71 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.23 -40.62 77.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.84 95.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.35 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.2 m -68.08 -37.11 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 309' ' ' ALA . . . . . 0.715 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.24 -42.2 96.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.296 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.31 -38.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.365 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.31 -33.69 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.379 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 64.0 tp -68.75 -43.76 75.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.377 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 69.4 mmm -64.39 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -82.3 -12.4 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.398 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 315' ' ' ARG . . . . . 0.617 HH11 ' HG2' ' B' ' 315' ' ' ARG . 5.7 mmt-85 -100.08 -46.84 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.522 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.63 147.75 95.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.69 128.4 21.14 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.827 2.352 . . . . 0.0 112.022 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 318' ' ' PRO . . . . . 0.426 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.2 Cg_endo -71.41 -4.1 14.31 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.88 2.387 . . . . 0.0 112.097 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . 0.414 HE22 ' HB ' ' A' ' 207' ' ' VAL . 75.5 mt-30 -80.49 -17.89 50.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -123.88 39.49 3.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 321' ' ' ILE . . . . . 0.426 HG13 ' HA ' ' B' ' 318' ' ' PRO . 81.9 mt -63.43 -40.84 90.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.67 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.574 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.6 -54.45 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.49 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -54.61 -55.78 25.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.502 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 41.3 tp -47.18 -48.96 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.409 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.2 t -57.12 -49.63 75.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -62.38 -40.77 97.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' LEU . . . . . 0.715 HD21 ' HB1' ' B' ' 309' ' ' ALA . 60.8 tp -55.5 -41.03 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.511 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.47 -41.19 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.79 -37.9 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.448 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.2 mt -71.24 -29.09 64.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.53 84.59 9.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.12 -5.56 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.733 2.289 . . . . 0.0 112.059 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.36 -6.44 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.465 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 75.3 mt -119.03 20.89 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.614 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 28.2 p -64.06 -55.95 18.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.596 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 80.7 tt0 -60.34 -50.47 73.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.66 -36.21 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . 0.465 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 76.2 mt -79.07 -28.61 43.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 35.0 mt -81.49 12.42 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 57.0 p -144.13 -3.64 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 50.9 p -119.37 -15.55 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.85 120.08 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.84 128.66 35.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.502 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.34 165.91 29.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.4 125.25 5.8 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.869 2.379 . . . . 0.0 112.101 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' B' ' 347' ' ' LEU . 91.6 mt -66.71 122.49 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.675 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -88.65 148.84 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.6 tt -102.98 136.39 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.702 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' ALA . . . . . 0.809 ' HB2' HD11 ' B' ' 361' ' ' LEU . . . -123.66 157.67 33.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.466 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -114.37 143.35 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 29.2 t0 -111.9 81.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.7 mttp -37.27 -63.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.594 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 354' ' ' VAL . 0.1 OUTLIER -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 8.8 t -92.97 -25.48 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.626 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.72 70.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 69.8 mmtt -115.1 154.84 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 358' ' ' ASP . . . . . 0.717 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.6 m-20 -94.75 143.08 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.702 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 47.5 p90 -139.68 135.72 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.15 156.66 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . 0.809 HD11 ' HB2' ' B' ' 350' ' ' ALA . 5.4 mp -108.58 158.53 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 362' ' ' CYS . . . . . . . . . . . . . 21.4 p -168.2 168.68 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 6.0 p-10 -75.49 -10.33 59.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 364' ' ' TYR . . . . . 0.574 ' CG ' HG21 ' B' ' 431' ' ' VAL . 90.0 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.443 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 365' ' ' ASN . . . . . 0.533 ' HB3' ' CD2' ' B' ' 420' ' ' TYR . 5.4 p-10 -123.19 24.71 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 366' ' ' ARG . . . . . 0.502 HH12 HD22 ' B' ' 340' ' ' LEU . 21.1 ttm180 -119.9 129.85 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.556 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -122.16 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.83 1.76 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 369' ' ' ASP . 54.6 t0 -126.2 8.67 7.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.592 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 370' ' ' SER . . . . . 1.045 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 16.0 p -122.37 161.36 23.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 371' ' ' TYR . . . . . 1.113 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 55.5 m-85 -118.34 150.8 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . 0.613 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 1.8 ttt180 -98.75 124.72 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 373' ' ' SER . . . . . 0.591 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 62.8 p -79.6 133.78 58.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 374' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.2 Cg_endo -75.93 -14.73 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.799 2.332 . . . . 0.0 112.208 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -85.9 -66.29 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.1 p -83.14 -18.59 38.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 377' ' ' ASN . . . . . 0.591 ' HA ' ' O ' ' B' ' 373' ' ' SER . 5.3 m120 70.24 40.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -141.52 137.88 32.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 379' ' ' TYR . . . . . 1.113 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 31.7 m-85 -65.75 140.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 380' ' ' ASP . . . . . 0.771 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.98 -60.43 6.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.319 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 381' ' ' PRO . . . . . 1.045 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.43 120.07 7.21 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.984 2.456 . . . . 0.0 112.277 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -41.58 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.48 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.535 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -117.02 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 386' ' ' GLY . . . . . 0.414 ' CA ' HD23 ' B' ' 383' ' ' LEU . . . -72.16 151.71 47.44 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 387' ' ' ALA . . . . . 0.514 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.94 127.26 30.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 388' ' ' MET . . . . . 0.414 ' HB2' HH21 ' B' ' 394' ' ' ARG . 6.5 ptt? -132.27 148.62 70.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 389' ' ' PRO . . . . . 0.447 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.3 Cg_endo -73.01 150.78 49.16 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.769 2.313 . . . . 0.0 112.106 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 47.3 t -52.74 142.9 17.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.55 -43.82 5.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.86 -37.82 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.91 -42.44 69.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . 0.414 HH21 ' HB2' ' B' ' 388' ' ' MET . 44.4 ttm180 -55.32 -36.83 66.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.54 -46.57 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.4 -31.97 73.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -67.82 -38.0 82.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.04 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.73 -36.97 79.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.343 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.9 94.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.96 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.15 -40.42 68.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.37 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.95 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -69.36 -29.23 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.41 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 405' ' ' ASP . . . . . 0.456 ' CG ' HH21 ' B' ' 408' ' ' ARG . 64.0 t0 -54.67 -38.78 67.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.446 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -77.08 -32.87 57.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -69.76 -18.63 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.481 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 408' ' ' ARG . . . . . 0.575 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.86 -35.5 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 409' ' ' ASP . . . . . 0.45 ' OD1' ' NZ ' ' C' ' 604' ' ' LYS . 13.9 m-20 -85.18 -8.92 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.525 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 410' ' ' LEU . . . . . 0.671 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.9 mt -95.87 -17.89 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 411' ' ' TYR . . . . . 0.719 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.539 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.556 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 9.7 m-85 -100.59 -25.96 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.521 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 413' ' ' GLU . . . . . 0.418 ' HA ' ' HZ1' ' C' ' 604' ' ' LYS . 96.7 mt-10 63.54 24.34 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 414' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' B' ' 408' ' ' ARG . . . 162.72 -154.44 25.4 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.41 -163.45 52.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 416' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' B' ' 435' ' ' LYS . 13.2 m -128.74 153.7 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 417' ' ' SER . . . . . 0.575 ' N ' HH12 ' B' ' 408' ' ' ARG . 92.7 p -143.59 148.52 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 418' ' ' SER . . . . . 0.551 ' OG ' ' OH ' ' B' ' 420' ' ' TYR . 3.7 t -148.24 143.92 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.77 130.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.551 ' OH ' ' OG ' ' B' ' 418' ' ' SER . 0.8 OUTLIER -128.51 132.45 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.332 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . 0.406 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.1 mt -119.65 158.4 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -154.49 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.499 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -43.03 159.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 424' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' B' ' 429' ' ' ALA . 56.5 mt -127.8 -147.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.609 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -87.36 -49.76 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.81 30.65 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.66 2.57 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -170.71 154.15 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 429' ' ' ALA . . . . . 0.514 ' HB2' HD11 ' B' ' 424' ' ' LEU . . . -124.03 172.8 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.552 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 430' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.11 161.74 35.07 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 431' ' ' VAL . . . . . 0.574 HG21 ' CG ' ' B' ' 364' ' ' TYR . 83.1 t -130.09 126.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 432' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.36 113.66 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' B' ' 450' ' ' SER . 65.4 mt -102.87 143.19 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 434' ' ' ILE . . . . . 0.473 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.74 119.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.614 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 435' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' B' ' 416' ' ' VAL . 46.8 tttp -122.51 127.49 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 436' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.1 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.17 40.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.77 128.1 19.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.548 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.65 9.73 76.08 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 90.3 p -110.32 -4.33 15.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . 0.672 ' HZ3' ' HG2' ' C' ' 678' ' ' GLU . 31.4 mmtt -89.14 153.85 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.91 -43.79 81.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 444' ' ' ILE . . . . . 0.642 HG23 ' OG1' ' B' ' 479' ' ' THR . 57.5 mt -95.12 135.96 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -105.78 154.71 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.41 24.52 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 5.2 t -149.46 130.67 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 448' ' ' TRP . . . . . 0.54 ' CZ2' HG11 ' B' ' 473' ' ' VAL . 8.5 t-105 -114.79 116.18 28.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.44 127.18 54.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 450' ' ' SER . . . . . 0.473 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.9 122.76 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 87.0 mt -127.89 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.287 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 452' ' ' HIS . . . . . 0.513 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 8.3 m80 -108.64 132.37 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.875 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 453' ' ' VAL . . . . . 0.42 HG22 HG22 ' B' ' 431' ' ' VAL . 26.3 t -128.67 95.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.268 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 454' ' ' VAL . . . . . 0.411 HG22 ' N ' ' B' ' 455' ' ' GLU . 9.4 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 455' ' ' GLU . . . . . 0.411 ' N ' HG22 ' B' ' 454' ' ' VAL . 98.5 mt-10 -131.83 102.15 5.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.311 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 456' ' ' VAL . . . . . 0.414 HG22 ' CE2' ' B' ' 467' ' ' TYR . 58.2 t -79.05 139.65 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -123.48 68.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 458' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' B' ' 509' ' ' HIS . 80.5 mm-40 -40.29 146.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 459' ' ' LYS . . . . . 0.594 ' CG ' ' O ' ' B' ' 464' ' ' THR . 35.3 mmtm -109.33 141.91 41.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.97 -54.11 16.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 34.4 p -126.72 146.52 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 462' ' ' GLY . . . . . 0.528 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.7 48.15 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 463' ' ' ARG . . . . . 0.66 ' CG ' HH11 ' B' ' 463' ' ' ARG . 0.0 OUTLIER 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.584 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 464' ' ' THR . . . . . 0.594 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.25 123.66 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.454 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.75 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -92.91 126.54 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.333 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 467' ' ' TYR . . . . . 0.414 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.8 m-85 -103.17 139.46 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.968 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -135.85 86.14 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.191 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 469' ' ' LEU . . . . . 0.644 HD12 ' H ' ' B' ' 470' ' ' THR . 55.3 tp -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 470' ' ' THR . . . . . 0.644 ' H ' HD12 ' B' ' 469' ' ' LEU . 17.2 m -157.87 62.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.084 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 25.4 p -64.62 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.09 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 472' ' ' THR . . . . . 0.49 HG23 ' OG1' ' B' ' 494' ' ' THR . 52.7 m -168.81 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.128 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 473' ' ' VAL . . . . . 0.54 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 98.2 t -69.72 143.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 474' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 3.0 ttt -124.78 95.99 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.191 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 475' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 47.0 tp -86.68 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.258 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.34 124.67 21.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.747 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 478' ' ' GLN . . . . . 0.707 ' NE2' ' H ' ' B' ' 479' ' ' THR . 41.8 tp60 -138.17 158.08 45.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.472 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 479' ' ' THR . . . . . 0.707 ' H ' ' NE2' ' B' ' 478' ' ' GLN . 21.9 m -163.4 127.44 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.655 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 480' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.16 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttp -107.64 146.65 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.2 68.72 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 484' ' ' SER . . . . . 0.451 ' O ' ' N ' ' B' ' 486' ' ' THR . 37.6 p -125.96 14.86 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.525 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 486' ' ' THR . . . . . 0.555 ' HG1' ' CE1' ' A' ' 209' ' ' HIS . 11.7 p -126.06 114.02 17.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 487' ' ' MET . . . . . 0.444 ' O ' ' OE1' ' B' ' 478' ' ' GLN . 27.2 ttt -125.12 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.551 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 488' ' ' ASN . . . . . 0.667 ' ND2' ' N ' ' B' ' 488' ' ' ASN . 0.0 OUTLIER -119.06 123.98 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 489' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.4 tp -131.68 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.38 -163.86 21.82 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 491' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.86 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 492' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' B' ' 491' ' ' GLY . 23.4 t 163.22 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.487 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 493' ' ' LEU . . . . . 0.551 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.57 149.44 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 494' ' ' THR . . . . . 0.49 ' OG1' HG23 ' B' ' 472' ' ' THR . 55.5 m -127.11 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 495' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.6 mmt180 -149.96 128.74 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 496' ' ' GLN . . . . . 0.614 ' CD ' ' H ' ' B' ' 496' ' ' GLN . 1.0 OUTLIER -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.3 ttm -160.06 130.43 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.65 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -133.52 141.6 47.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -172.24 145.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 500' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.8 p-10 -91.29 125.19 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -120.67 160.17 23.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 52.2 m -94.3 131.86 39.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.57 122.4 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.4 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.88 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.0 p -83.68 -19.75 34.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 39.9 t -135.56 73.43 62.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 508' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.1 Cg_exo -72.61 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.166 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 509' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' B' ' 458' ' ' GLU . 57.0 m80 -58.69 -62.8 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.65 -49.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 511' ' ' ALA . . . . . 0.468 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -54.97 -49.23 71.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -62.98 -48.21 79.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 513' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 517' ' ' VAL . 68.7 mt -61.03 -33.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.61 74.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -57.33 -44.33 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.714 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.23 -52.52 61.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 517' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' B' ' 452' ' ' HIS . 74.1 t -55.43 -47.21 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.89 -51.69 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.769 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 519' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.6 t0 -63.54 -37.48 87.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.762 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 33.1 tpp -64.43 -49.37 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 521' ' ' GLU . . . . . 0.406 ' HB3' HH12 ' A' ' 259' ' ' ARG . 94.3 mt-10 -62.59 -45.29 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 522' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 23.3 t-20 -56.89 -41.46 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -70.59 -38.49 74.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.776 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 524' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' B' ' 524' ' ' ILE . 27.4 mm -74.44 -24.35 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 525' ' ' ARG . . . . . 0.649 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.68 -27.66 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.701 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 526' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.1 t -85.04 -38.71 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.713 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 61.8 p -66.07 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 528' ' ' LEU . . . . . 0.659 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 4.1 mp -64.97 -42.38 94.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -68.56 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 530' ' ' GLU . . . . . 0.963 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.32 -54.45 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.652 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.48 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 532' ' ' TYR . . . . . 0.659 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 20.9 m-85 -50.29 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.79 40.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . 0.963 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 535' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' B' ' 536' ' ' THR . 17.8 mtpt -56.91 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.514 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.642 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 42.4 p -34.72 -58.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.34 -53.32 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -53.16 -44.91 68.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 539' ' ' ILE . . . . . 0.598 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 36.0 mm -61.8 -36.03 71.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.44 -42.0 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.78 -17.1 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.32 48.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.461 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.11 -51.46 46.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 544' ' ' ARG . . . . . 0.545 ' NH1' ' CZ3' ' A' ' 173' ' ' TRP . 32.9 ptt180 -141.79 170.09 16.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 545' ' ' SER . . . . . . . . . . . . . 35.5 t -142.17 137.88 31.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 546' ' ' ILE . . . . . 0.518 HG23 ' N ' ' B' ' 547' ' ' ASP . 13.5 tt -69.1 -43.51 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 547' ' ' ASP . . . . . 0.518 ' N ' HG23 ' B' ' 546' ' ' ILE . 83.8 m-20 -82.9 138.61 33.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.625 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 548' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.48 122.08 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 551' ' ' ASP . 80.5 mt -79.49 112.78 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.5 Cg_exo -46.66 80.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 50.1 p-10 -25.32 145.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.635 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -129.86 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.27 -24.78 27.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' B' ' 558' ' ' LEU . 5.5 ttpm? -52.54 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -45.24 -56.64 4.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -46.94 83.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.706 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 557' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' B' ' 557' ' ' GLN . 15.6 tm0? -65.84 -29.62 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.2 tp -77.78 -30.4 51.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.55 -36.32 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -58.24 -40.54 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 561' ' ' GLU . . . . . 0.585 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.1 mm-40 -67.83 -61.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.706 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.878 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 49.3 tp -49.09 -40.71 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.7 m -61.19 -76.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.761 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' B' ' 564' ' ' GLN . 1.3 tm0? -36.71 -13.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.724 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.878 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.1 t -72.07 -42.68 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' B' ' 563' ' ' SER . 43.1 mt -81.46 -35.57 30.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.1 p -70.3 -19.62 63.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -117.55 6.66 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 569' ' ' ARG . . . . . 0.793 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 570' ' ' GLN . . . . . 0.859 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 8.6 pt20 139.73 128.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.682 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 571' ' ' ILE . . . . . 0.859 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 57.1 mt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 601' ' ' MET . . . . . 0.506 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.2 m 62.15 5.96 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.515 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -49.81 -37.84 32.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 604' ' ' LYS . . . . . 0.45 ' NZ ' ' OD1' ' B' ' 409' ' ' ASP . 57.6 mttt -69.64 -52.22 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.1 -28.91 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -75.67 -53.64 8.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 607' ' ' MET . . . . . . . . . . . . . 38.4 ttp -72.87 -36.74 67.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -56.81 -16.0 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 609' ' ' ALA . . . . . 0.422 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.61 13.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.3 2.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 611' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' C' ' 609' ' ' ALA . 63.5 tttp -102.06 -66.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.35 -4.31 21.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 613' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.03 21.93 58.31 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 614' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' C' ' 617' ' ' GLU . 11.1 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 615' ' ' LEU . . . . . 0.944 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.6 tm? -44.98 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 616' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.7 m-20 -77.74 -27.52 50.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.527 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 617' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' C' ' 614' ' ' ASP . 53.1 tp10 -81.49 -49.86 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 618' ' ' VAL . . . . . 0.505 ' CG1' HD22 ' C' ' 615' ' ' LEU . 12.0 p -62.9 -28.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 619' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 63.5 tttm -66.29 -21.83 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 620' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.0 t0 -75.34 -45.4 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.94 -59.22 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.71 -27.88 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 623' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.67 -16.79 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.603 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 625' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.36 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 626' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' C' ' 625' ' ' GLY . 6.5 pt-20 34.26 95.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 627' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 89.2 m-20 -140.98 62.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 628' ' ' VAL . . . . . 0.656 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.3 t -121.93 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -173.02 5.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.668 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 630' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.8 mtt-85 -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.05 87.66 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.635 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 46.5 tp -31.35 -88.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.566 ' OE1' ' NH1' ' A' ' 260' ' ' ARG . 75.1 tt0 -71.71 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.66 -11.34 0.07 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 635' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.44 22.74 0.18 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -127.93 164.91 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 637' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' C' ' 639' ' ' LEU . 3.4 pttt -108.41 156.99 37.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 638' ' ' PRO . . . . . 0.503 ' O ' HD22 ' C' ' 654' ' ' LEU . 56.7 Cg_endo -73.68 25.07 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.83 2.354 . . . . 0.0 112.093 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 639' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' C' ' 637' ' ' LYS . 6.3 mp -117.78 -16.29 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.23 -43.86 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -71.73 -36.01 70.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.443 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 642' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.89 -44.97 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.47 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 644' ' ' ASP . . . . . 0.584 ' OD2' ' NZ ' ' B' ' 442' ' ' LYS . 16.7 t0 -60.63 -35.69 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 21.8 p -160.89 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 646' ' ' GLY . . . . . 0.674 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 647' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.1 mt-30 51.74 4.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.493 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 648' ' ' LEU . . . . . 0.878 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.57 7.01 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.8 -12.58 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.57 -36.12 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.618 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 1.125 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.31 -52.95 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 652' ' ' GLU . . . . . 0.859 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 44.4 tt0 -56.22 -22.58 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 85.3 t80 -75.84 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 654' ' ' LEU . . . . . 0.656 ' O ' HG11 ' C' ' 628' ' ' VAL . 0.6 OUTLIER -41.41 6.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.8 tp -102.91 -47.87 4.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.564 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.31 -25.41 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -72.75 -90.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 658' ' ' GLY . . . . . 0.592 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.33 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 659' ' ' ALA . . . . . 0.697 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.03 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.565 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 660' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' C' ' 662' ' ' ASN . 70.2 m-20 -57.4 10.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 661' ' ' ILE . . . . . 0.697 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.3 tt -66.04 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 662' ' ' ASN . . . . . 1.096 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 10.7 t-20 -163.68 -18.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 663' ' ' ALA . . . . . 0.76 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.61 0.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 664' ' ' PRO . . . . . 1.096 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 58.9 Cg_exo -47.0 120.82 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.104 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 665' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.6 p-10 -125.88 -50.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 666' ' ' LYS . . . . . 0.422 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 43.7 mmtm -78.76 -16.19 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 667' ' ' HIS . . . . . 0.527 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 37.8 m80 -80.45 -6.32 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 40.52 37.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 669' ' ' ILE . . . . . 0.485 HG22 ' O ' ' C' ' 667' ' ' HIS . 15.7 tt -176.84 147.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 670' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 671' ' ' PRO . . . . . 0.461 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.53 -30.49 12.16 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.105 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 10.2 tp -45.37 -49.03 13.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 673' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' C' ' 703' ' ' THR . 14.3 mt -67.88 -27.81 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 674' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.3 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.534 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 675' ' ' ALA . . . . . 0.407 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.57 -29.97 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 676' ' ' VAL . . . . . 0.648 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 4.0 t -47.18 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 677' ' ' TYR . . . . . 0.482 ' N ' HG12 ' C' ' 676' ' ' VAL . 1.5 t80 -77.81 39.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 678' ' ' GLU . . . . . 0.672 ' HG2' ' HZ3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -124.47 -28.67 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.3 72.46 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 680' ' ' HIS . . . . . 0.897 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.5 m80 -72.0 -53.47 12.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 681' ' ' VAL . . . . . 0.753 ' O ' HG22 ' C' ' 684' ' ' VAL . 9.4 m 43.27 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 682' ' ' SER . . . . . 0.897 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.2 m -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 683' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.0 p -90.92 -48.68 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 684' ' ' VAL . . . . . 0.753 HG22 ' O ' ' C' ' 681' ' ' VAL . 2.9 m -41.89 -34.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 685' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' C' ' 687' ' ' LEU . 98.7 mttt -62.52 -73.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.94 1.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 687' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' C' ' 685' ' ' LYS . 8.2 tp -81.95 -70.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 688' ' ' LEU . . . . . 0.426 ' N ' HD12 ' C' ' 688' ' ' LEU . 10.9 mp -45.64 -21.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 689' ' ' SER . . . . . 0.41 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.7 m -55.73 -21.52 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -99.64 -6.31 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.579 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.5 OUTLIER 33.14 -128.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 694' ' ' LYS . . . . . 0.5 ' HG3' HG22 ' C' ' 695' ' ' THR . 61.8 pttt -152.49 -23.69 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 695' ' ' THR . . . . . 0.687 ' O ' HG23 ' C' ' 695' ' ' THR . 9.3 t -156.49 73.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.558 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 696' ' ' VAL . . . . . 0.429 HG22 ' OD2' ' C' ' 693' ' ' ASP . 4.9 t -93.45 -29.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -140.16 23.55 2.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.72 142.75 20.3 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 699' ' ' PRO . . . . . 0.641 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 76.3 Cg_exo -44.77 -27.73 2.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.817 2.345 . . . . 0.0 112.162 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 700' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 36.2 t0 157.7 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 701' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.8 tt -53.85 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.577 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 703' ' ' THR . . . . . 0.884 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 0.0 OUTLIER 16.16 -95.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 704' ' ' ALA . . . . . 0.525 ' N ' ' OG1' ' C' ' 703' ' ' THR . . . -106.61 -18.66 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 705' ' ' LEU . . . . . 0.56 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.6 tt -62.87 -75.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -80.76 15.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 707' ' ' ALA . . . . . 0.884 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 708' ' ' THR . . . . . 0.575 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.3 m -139.76 -142.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 709' ' ' ASP . . . . . 0.575 ' H ' HG22 ' C' ' 708' ' ' THR . 52.8 p30 -148.78 -4.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -72.56 151.84 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -71.56 -20.52 62.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.3 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -37.72 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.01 -29.94 23.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 716' ' ' LEU . . . . . 1.072 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.06 98.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 717' ' ' LEU . . . . . 1.072 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.5 mm? 124.11 -176.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.595 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 718' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 34.6 tt0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.595 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 8' ' ' VAL . 11.2 p -54.08 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.759 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.1 t -45.98 163.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.94 -33.56 76.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.49 -39.32 87.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' HG2' HH21 ' A' ' 15' ' ' ARG . 95.2 mt-10 -67.55 -40.97 84.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -63.77 -35.89 82.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.19 -43.78 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.416 HH21 ' HG2' ' A' ' 12' ' ' GLU . 74.4 mtm180 -61.6 -39.66 92.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.719 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.445 HD12 ' CG ' ' B' ' 327' ' ' ASP . 38.2 mm -65.47 -47.33 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.86 75.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.58 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.6 tttt -65.91 -41.37 91.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -65.14 -44.89 87.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.62 -46.52 85.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -76.02 8.48 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.618 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -123.74 15.35 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.93 81.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.544 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 17.6 Cg_endo -68.16 167.52 21.71 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.806 2.338 . . . . 0.0 112.054 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.552 ' O ' ' ND2' ' A' ' 170' ' ' ASN . 47.8 Cg_endo -70.91 116.16 4.56 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.755 2.303 . . . . 0.0 112.175 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.12 21.57 35.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.544 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 47.8 mp0 -149.34 37.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.803 0.335 . . . . 0.0 110.523 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 51.7 p90 -73.94 -48.86 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 42.0 t30 -57.05 -57.32 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.563 ' CD ' HH21 ' B' ' 315' ' ' ARG . 99.0 mt-10 -44.54 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.83 -42.48 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 39.4 t80 -59.24 -50.81 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.11 -37.89 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.1 -42.07 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.04 -41.88 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -56.32 -54.79 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.404 HD22 ' SG ' ' B' ' 308' ' ' CYS . 9.8 mp -59.34 -34.76 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 mt -73.2 -49.72 26.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD12 HD22 ' B' ' 331' ' ' LEU . 13.4 tp -61.75 -32.63 72.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.554 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.0 t30 46.61 49.69 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.6 m-20 -168.6 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -51.89 -37.88 54.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.615 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -54.14 -44.17 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.31 -30.87 54.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 40.1 tp -62.74 -38.68 91.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -66.25 -35.47 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -41.06 -59.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.09 -56.83 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.607 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.54 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -54.29 -37.05 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.576 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.4 12.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.55 -56.62 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.56 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' ALA . 67.4 tp60 -33.61 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.567 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -60.02 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -46.97 -30.94 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.692 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -68.88 -66.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.692 ' N ' ' HG3' ' A' ' 59' ' ' MET . 53.9 t0 -67.94 10.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 1.3 tm0? -124.5 24.76 7.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.618 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 51.7 m-85 23.9 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.488 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.0 m -58.78 111.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -75.68 115.17 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.943 2.429 . . . . 0.0 112.212 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.626 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.5 p -109.38 165.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.626 ' N ' HG22 ' A' ' 65' ' ' VAL . 13.0 ptpt -125.19 103.99 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 43.9 mt -51.56 148.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 78.1 tt0 -13.24 -78.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.37 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 67.1 m-85 -137.41 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 13.8 p-10 20.17 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 1.068 ' O ' ' N ' ' A' ' 74' ' ' VAL . 55.2 t0 -98.76 19.37 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 12.6 mm100 -0.24 50.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.068 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.8 p -63.98 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.727 ' N ' HG22 ' A' ' 74' ' ' VAL . 42.5 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.511 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.04 105.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.57 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 4.9 p -130.12 -176.97 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.612 ' N ' ' SD ' ' A' ' 59' ' ' MET . 14.3 tm-20 -78.72 -31.33 46.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.629 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 144' ' ' TYR . 32.7 m-70 -63.89 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.67 50.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -85.45 100.02 11.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.6 -51.57 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -116.16 1.31 13.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.742 0.306 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.16 -15.76 9.35 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.639 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.67 9.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.555 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 54.0 m-85 -114.5 -170.61 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' OH ' ' A' ' 144' ' ' TYR . 80.3 mt -118.29 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.7 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 33.6 t0 -139.3 89.04 12.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.1 Cg_endo -61.03 -36.68 81.23 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.834 2.356 . . . . 0.0 112.005 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.705 HH22 ' NH2' ' A' ' 129' ' ' ARG . 64.8 mtp180 -59.49 -75.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -20.35 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.514 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.7 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 67.9 mttm 62.72 62.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.553 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 33.1 pt -146.48 154.46 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.817 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 2.1 t -92.71 133.0 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 31.1 p90 -140.08 136.67 33.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.697 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 64.4 tttm -88.7 113.39 24.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.872 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 52.1 t80 -82.65 133.06 35.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 102' ' ' ARG . 5.0 m-20 -104.56 90.2 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -36.45 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.623 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.5 tp -47.45 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.576 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.5 tpp180 -52.85 156.31 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -88.85 2.29 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 80.6 mm-40 -117.19 150.21 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.872 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.22 79.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 71.4 m -95.52 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.5 OUTLIER 73.7 54.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.542 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.817 ' HA ' ' O ' ' A' ' 95' ' ' SER . 59.1 Cg_endo -73.5 -177.82 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.866 2.377 . . . . 0.0 112.046 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.811 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.1 tt0 -160.11 124.57 2.11 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -47.16 130.99 17.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -122.88 102.49 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 51.2 p-10 -75.48 88.41 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.669 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 68.7 p -46.89 164.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.549 ' H ' ' HD3' ' A' ' 118' ' ' LYS . 2.0 p 71.96 35.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.77 -59.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 59.9 tp -104.14 3.31 32.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.551 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -53.93 -41.93 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.521 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' LYS . 85.2 mt-30 -39.24 -55.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -62.57 -47.62 83.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.819 HH21 ' H ' ' A' ' 145' ' ' GLY . 23.8 ttm180 -53.88 -80.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.566 ' C ' ' O ' ' A' ' 121' ' ' ARG . 82.8 m-20 -25.41 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.5 t -51.11 -48.57 61.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.465 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.1 t0 -40.42 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.1 m -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.41 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.83 -12.27 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.705 ' NH2' HH22 ' A' ' 91' ' ' ARG . 22.1 tpt180 -66.33 -32.78 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.68 -39.22 24.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TYR . . . . . 0.46 ' HB2' ' CG2' ' A' ' 229' ' ' ILE . 45.8 t80 -54.76 -38.8 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 136' ' ' TYR . 4.7 p -74.74 -40.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 52.4 mmtt -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.2 m-20 -147.58 7.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.511 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.509 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.3 m80 -151.05 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.504 ' OH ' ' NE1' ' A' ' 173' ' ' TRP . 37.3 m-85 -114.68 106.45 52.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.767 2.312 . . . . 0.0 112.044 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -127.56 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.62 12.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.622 ' HB2' HD21 ' A' ' 75' ' ' LEU . 67.7 m-85 -135.08 158.15 45.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.844 0.354 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.5 p -129.55 162.29 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 78.2 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 47.4 t -75.74 143.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 146' ' ' LYS . 11.1 t80 -120.24 124.28 45.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.819 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.73 84.51 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.575 ' CG ' ' N ' ' A' ' 147' ' ' SER . 55.0 tttm -123.79 167.33 14.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.358 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' A' ' 146' ' ' LYS . 72.5 m -107.57 115.44 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 20.9 mt -91.1 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 59.0 t0 46.61 54.23 9.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.73 4.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLN . . . . . 0.732 ' CG ' ' O ' ' A' ' 148' ' ' ILE . 10.1 pt20 -53.84 129.83 35.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLN . . . . . 1.053 ' O ' HG13 ' A' ' 181' ' ' ILE . 10.5 mt-30 -85.76 150.49 24.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 2.7 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.678 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ILE . . . . . 0.492 HD13 HD21 ' A' ' 117' ' ' LEU . 10.3 mm -108.52 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.427 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 144' ' ' TYR . 2.9 mt -98.11 117.08 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.9 116.03 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.1 m -106.04 135.43 47.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.77 137.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.199 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.6 tm-20 -131.39 151.92 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.991 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' HIS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 2.0 p80 -140.7 170.55 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.982 0.42 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 93.9 mm-40 -148.56 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.238 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -65.41 147.5 53.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.001 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.49 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 0.4 OUTLIER -167.96 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.295 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' PRO . . . . . 0.682 ' O ' ' N ' ' A' ' 167' ' ' ASN . 23.8 Cg_exo -60.73 -52.04 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.736 2.291 . . . . 0.0 112.165 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ASN . . . . . 0.682 ' N ' ' O ' ' A' ' 165' ' ' PRO . 58.2 t-20 -121.95 -10.43 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' PHE . . . . . 0.829 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 50.3 m-85 70.07 80.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' TRP . . . . . 0.829 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.1 p-90 158.83 127.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.711 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 26' ' ' PRO . 1.6 p-10 -135.99 162.35 33.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.528 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.11 29.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' ARG . . . . . 0.701 HH11 ' NE ' ' A' ' 174' ' ' ARG . 9.2 ttm180 -165.68 136.61 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.383 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' TRP . . . . . 0.841 ' CZ3' HD11 ' A' ' 194' ' ' ILE . 7.1 t-105 -107.55 138.92 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.701 ' NE ' HH11 ' A' ' 172' ' ' ARG . 73.2 mtm180 -125.31 152.31 44.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.226 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . 0.643 ' HG ' ' HE1' ' A' ' 173' ' ' TRP . 0.7 OUTLIER -166.31 111.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.046 -179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 81.8 tt0 -116.36 124.73 50.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.128 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' TRP . . . . . 0.887 ' CZ2' HG23 ' A' ' 232' ' ' ILE . 40.3 m95 -120.63 117.0 26.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.64 119.81 38.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.335 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' PHE . . . . . 0.72 ' O ' ' HA ' ' A' ' 153' ' ' THR . 19.5 m-85 -117.47 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.745 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 181' ' ' ILE . 18.8 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' ILE . . . . . 1.053 HG13 ' O ' ' A' ' 152' ' ' GLN . 1.8 pp -164.34 151.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.637 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' THR . . . . . 0.931 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.47 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.433 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 1.056 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.2 Cg_exo -34.41 12.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.447 2.764 . . . . 0.0 112.68 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' PRO . . . . . 0.931 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.1 Cg_endo -79.92 -4.26 13.25 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.834 2.356 . . . . 0.0 112.101 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' THR . . . . . 1.037 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.69 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.296 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.169 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.89 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.925 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' GLN . . . . . 1.048 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 27.5 mp0 -106.8 -114.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.2 t 145.64 173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' ALA . . . . . 0.776 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.44 -167.52 2.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.545 HG23 ' OD1' ' A' ' 211' ' ' ASP . 2.0 p -165.78 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.5 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 192' ' ' LEU . 6.9 mp -85.55 157.84 20.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -150.35 147.77 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' ILE . . . . . 0.841 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 23.9 mt -149.45 134.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.23 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -142.32 130.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.958 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.704 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.2 t -132.69 136.66 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.092 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' HIS . . . . . 0.759 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 11.1 t60 -126.56 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 51.0 t80 -145.55 87.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.607 ' CG ' ' O ' ' A' ' 199' ' ' TYR . 1.4 t80 -100.08 87.72 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' GLU . . . . . 1.066 ' O ' ' CG ' ' A' ' 201' ' ' ASP . 58.2 tt0 -129.41 52.18 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' ASP . . . . . 1.066 ' CG ' ' O ' ' A' ' 200' ' ' GLU . 51.1 p30 114.82 2.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.393 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . 0.432 ' HA3' HD22 ' B' ' 493' ' ' LEU . . . -157.66 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -172.82 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 129.16 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' GLN . . . . . 0.704 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 9.8 mt-30 -136.81 154.14 50.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' LEU . . . . . 0.481 HD22 ' OH ' ' A' ' 247' ' ' TYR . 12.7 tp -122.27 87.17 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.02 122.21 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.419 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 7.2 p -149.61 147.22 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.747 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' HIS . . . . . 0.473 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 35.2 p80 -157.82 145.15 18.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.162 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -135.44 129.03 32.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' ASP . . . . . 0.545 ' OD1' HG23 ' A' ' 191' ' ' VAL . 96.8 m-20 -103.55 129.83 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.196 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.7 tt -127.15 154.83 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.947 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -150.13 102.58 3.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 98.5 m-20 -118.81 166.06 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.747 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' SER . . . . . 1.048 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 33.5 p -117.75 103.36 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' VAL . . . . . 1.169 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 81.3 t -91.9 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' GLN . . . . . 1.037 ' HA ' ' O ' ' A' ' 185' ' ' THR . 77.9 mt-30 -102.63 128.06 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' VAL . . . . . 1.089 HG23 ' HB2' ' A' ' 186' ' ' ALA . 79.7 t -86.04 137.52 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.624 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 43.8 m -131.02 -98.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.0 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' ASP . . . . . 0.482 ' O ' HG22 ' A' ' 224' ' ' THR . 65.6 t0 -86.87 -62.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.11 -24.69 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -73.94 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 221' ' ' ASP . 5.0 t -54.55 -36.97 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 225' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.52 -57.09 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.11 -30.49 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.43 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.63 -38.75 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.448 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -67.74 -53.87 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 229' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.8 mm -52.13 -27.38 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.363 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -74.86 -36.73 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 231' ' ' ILE . . . . . 0.424 HG13 HG21 ' A' ' 216' ' ' VAL . 4.4 mm -67.5 -41.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.479 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 232' ' ' ILE . . . . . 0.887 HG23 ' CZ2' ' A' ' 177' ' ' TRP . 98.6 mt -70.11 -44.49 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -56.99 -47.03 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.62 -43.93 71.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.87 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.43 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 237' ' ' ASN . . . . . 0.531 ' HA ' HH22 ' B' ' 544' ' ' ARG . 93.4 m-20 -60.05 -40.21 88.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.418 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.78 -34.38 73.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.44 -44.44 74.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 240' ' ' GLN . . . . . 0.447 ' CB ' ' NH2' ' B' ' 544' ' ' ARG . 50.7 tp60 -68.15 -38.95 82.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 83.8 m -61.45 -45.74 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.49 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.18 -47.51 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.69 -34.22 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -42.89 84.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.15 -34.61 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 247' ' ' TYR . . . . . 0.481 ' OH ' HD22 ' A' ' 206' ' ' LEU . 2.8 m-85 -64.92 -31.89 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.21 -50.91 19.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 249' ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' ' 253' ' ' THR . 42.8 p -64.77 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 50.3 mtt -72.9 -14.49 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 251' ' ' SER . . . . . 0.443 ' O ' ' NZ ' ' A' ' 256' ' ' LYS . 3.2 p -113.01 -10.09 13.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 93.8 m-20 -132.12 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.8 m 175.72 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 254' ' ' THR . . . . . 0.538 ' N ' HG22 ' A' ' 253' ' ' THR . 7.0 m -53.52 -61.24 2.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -47.68 -57.49 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 256' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 251' ' ' SER . 64.6 mttp -64.27 -11.74 34.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.21 30.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 259' ' ' ARG . . . . . 0.771 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 15.6 ttp180 -98.64 174.48 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 260' ' ' ARG . . . . . 0.771 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 0.0 OUTLIER -109.17 153.18 24.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.73 -11.2 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 262' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 262' ' ' LEU . 0.3 OUTLIER -163.67 133.28 3.1 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 263' ' ' PRO . . . . . 0.739 ' HG3' ' CZ ' ' B' ' 411' ' ' TYR . 34.3 Cg_exo -43.96 135.39 7.86 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.892 2.395 . . . . 0.0 112.087 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 264' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 264' ' ' VAL . 21.6 t -37.76 -38.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 265' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 265' ' ' THR . 89.2 m -64.15 -5.46 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.9 ttm180 54.17 55.57 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 267' ' ' THR . . . . . 0.627 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.25 114.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.405 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 268' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 267' ' ' THR . 24.6 mtmm -16.76 131.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.626 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 269' ' ' ILE . . . . . 0.447 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 7.5 tt -50.23 158.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 270' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 273' ' ' LYS . 10.6 t70 -117.12 58.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 271' ' ' TRP . . . . . 0.593 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.37 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 272' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 270' ' ' ASP . 44.1 t30 -44.55 -25.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 273' ' ' LYS . . . . . 1.247 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 19.0 pttt -99.93 -7.71 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.661 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 274' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' A' ' 271' ' ' TRP . 1.3 tp -103.19 -1.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 275' ' ' LEU . . . . . 0.728 ' O ' ' CB ' ' A' ' 276' ' ' SER . 77.0 mt -111.09 44.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 276' ' ' SER . . . . . 1.309 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.4 m 141.94 -38.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 277' ' ' TYR . . . . . 1.247 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.7 t80 -31.01 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 278' ' ' LYS . . . . . 1.309 ' N ' ' O ' ' A' ' 276' ' ' SER . 99.4 mttt -107.67 80.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.2 pt 54.21 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.64 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.528 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 302' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 16.1 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -42.8 -51.22 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.36 -34.12 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 305' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 302' ' ' SER . 24.0 mt-30 -60.77 -49.03 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.2 -40.67 77.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.411 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.92 -40.8 95.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 308' ' ' CYS . . . . . 0.404 ' SG ' HD22 ' A' ' 38' ' ' LEU . 94.0 m -68.14 -37.21 80.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.362 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 309' ' ' ALA . . . . . 0.709 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.16 -42.15 96.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.357 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.36 -38.35 84.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -68.31 -33.71 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.79 -43.73 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 79.1 mmm -64.37 -25.61 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 314' ' ' ARG . . . . . 0.588 ' NH2' ' OH ' ' A' ' 199' ' ' TYR . 3.9 mtp180 -82.28 -12.34 58.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.42 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 315' ' ' ARG . . . . . 0.563 HH21 ' CD ' ' A' ' 31' ' ' GLU . 27.6 mmt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.67 147.74 95.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 317' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' B' ' 318' ' ' PRO . 50.8 Cg_exo -49.63 128.38 20.93 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.808 2.338 . . . . 0.0 112.047 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 318' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' ' 317' ' ' PRO . 6.8 Cg_exo -71.43 -4.05 14.21 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.878 2.385 . . . . 0.0 112.041 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -80.61 -17.76 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -123.92 39.42 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 321' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 318' ' ' PRO . 35.6 mm -63.4 -40.79 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.74 -60.85 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.38 42.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -54.71 -55.77 26.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.439 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' B' ' 345' ' ' GLN . 42.8 tp -47.14 -48.92 23.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.5 t -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.424 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' ASP . . . . . 0.445 ' CG ' HD12 ' A' ' 16' ' ' ILE . 53.6 m-20 -62.39 -40.76 97.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' LEU . . . . . 0.709 HD21 ' HB1' ' B' ' 309' ' ' ALA . 62.4 tp -55.51 -41.08 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.47 -41.11 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -57.81 -37.96 74.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.42 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.1 mt -71.25 -29.11 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.57 84.63 9.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -68.08 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.76 2.307 . . . . 0.0 112.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.0 m -89.31 -6.5 56.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 79.1 mt -119.04 20.92 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 27.1 p -64.15 -55.83 19.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' GLU . . . . . 0.584 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 81.0 tt0 -60.39 -50.36 73.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.76 -36.14 73.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' LEU . . . . . 0.478 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.1 mt -79.09 -28.62 43.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 44.2 mt -81.49 12.4 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.8 p -144.09 -3.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.6 t -119.33 -15.49 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.87 120.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.466 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.87 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' GLN . . . . . 0.418 ' OE1' ' CD2' ' B' ' 325' ' ' LEU . 0.0 OUTLIER -129.35 165.92 29.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.481 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.41 125.27 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.849 2.366 . . . . 0.0 112.095 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.7 122.44 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.663 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -88.59 148.77 23.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.455 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.3 tt -102.98 136.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.74 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' ALA . . . . . 0.724 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.67 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.481 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -114.34 143.34 45.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.605 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . 0.962 ' O ' ' N ' ' B' ' 356' ' ' GLY . 40.6 t0 -111.92 81.44 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.456 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.9 mttt -37.24 -62.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 97.3 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.94 -25.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . 0.962 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.69 70.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' B' ' 352' ' ' ASP . 98.4 mttt -115.14 154.93 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 358' ' ' ASP . . . . . 0.724 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.0 m-20 -94.75 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 359' ' ' TYR . . . . . 0.682 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.7 p90 -139.66 135.78 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.22 156.64 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.6 mt -108.54 158.56 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.615 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 362' ' ' CYS . . . . . 0.463 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 20.2 p -168.19 168.65 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 7.7 p-10 -75.5 -10.25 59.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.4 -18.24 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 365' ' ' ASN . . . . . 0.463 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 53.3 p30 -123.16 24.73 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -119.94 129.81 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.511 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -122.18 99.48 6.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.09 -98.67 1.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.34 8.67 7.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 370' ' ' SER . . . . . 0.995 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 4.5 m -122.33 161.32 23.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 371' ' ' TYR . . . . . 1.106 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.4 OUTLIER -118.29 150.84 38.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.499 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 372' ' ' ARG . . . . . 0.458 ' NH2' ' HB3' ' B' ' 387' ' ' ALA . 17.5 mtt180 -98.78 124.73 43.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 373' ' ' SER . . . . . 0.587 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 96.1 p -79.66 133.77 58.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.91 -14.71 19.13 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.788 2.326 . . . . 0.0 112.227 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -85.89 -66.31 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 376' ' ' SER . . . . . 0.496 ' HG ' ' HG ' ' B' ' 373' ' ' SER . 80.1 p -83.05 -18.62 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.663 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 377' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 373' ' ' SER . 10.7 m-80 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -141.55 137.89 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 379' ' ' TYR . . . . . 1.106 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.76 140.4 58.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 380' ' ' ASP . . . . . 0.755 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.91 -60.48 6.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.328 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 381' ' ' PRO . . . . . 0.995 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.45 120.0 7.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.022 2.481 . . . . 0.0 112.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -41.53 79.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.96 2.44 . . . . 0.0 112.317 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 383' ' ' LEU . . . . . 0.732 HD23 ' H ' ' B' ' 384' ' ' GLU . 0.4 OUTLIER -84.51 177.52 8.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . 0.732 ' H ' HD23 ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -117.0 66.03 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 386' ' ' GLY . . . . . 0.832 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.2 151.71 47.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 387' ' ' ALA . . . . . 0.458 ' HB3' ' NH2' ' B' ' 372' ' ' ARG . . . -64.03 127.32 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -132.25 148.59 70.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.97 150.75 49.36 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.779 2.319 . . . . 0.0 112.172 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.4 m -52.67 142.87 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.54 -43.79 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.546 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -67.93 -37.77 82.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.84 -42.46 70.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.391 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -55.32 -36.79 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.51 -46.63 85.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.32 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.37 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -67.77 -38.01 82.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.09 -40.27 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.38 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.76 -36.95 78.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.321 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.89 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -63.97 -38.94 92.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.22 -40.32 67.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.01 78.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 404' ' ' PHE . . . . . 0.5 ' CZ ' HD13 ' B' ' 432' ' ' ILE . 17.1 m-85 -69.33 -29.22 67.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 405' ' ' ASP . . . . . 0.462 ' CG ' HH21 ' B' ' 408' ' ' ARG . 12.1 t70 -54.58 -38.91 67.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -77.01 -32.93 57.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 407' ' ' TYR . . . . . 0.511 ' O ' ' CD1' ' B' ' 411' ' ' TYR . 34.8 t80 -69.73 -18.61 63.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 408' ' ' ARG . . . . . 0.583 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.82 -35.48 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -85.16 -8.98 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.602 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 410' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 41.1 mt -95.83 -17.95 20.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 411' ' ' TYR . . . . . 0.739 ' CZ ' ' HG3' ' A' ' 263' ' ' PRO . 2.2 m-85 -118.81 -38.12 3.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 412' ' ' PHE . . . . . 0.568 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 5.5 m-85 -100.55 -25.93 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 413' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 80.3 mt-10 63.44 24.38 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.72 -154.45 25.41 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.44 -163.51 52.91 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 416' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 417' ' ' SER . 58.8 t -128.66 153.72 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 110.462 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 417' ' ' SER . . . . . 0.583 ' N ' HH12 ' B' ' 408' ' ' ARG . 36.3 t -143.6 148.52 36.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.683 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 43.9 t -148.2 143.97 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.88 130.26 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.767 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 420' ' ' TYR . . . . . 0.538 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 12.7 t80 -128.48 132.46 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.334 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.66 158.41 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.737 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -154.48 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -42.99 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.621 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 424' ' ' LEU . . . . . 0.475 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.1 tp -127.87 -147.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.563 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 425' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 426' ' ' HIS . 0.9 OUTLIER -87.33 -49.81 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 426' ' ' HIS . . . . . 0.532 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 98.9 m-70 -129.8 30.72 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.67 2.57 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.67 154.13 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -123.99 172.84 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 430' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.7 35.05 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 431' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 4.3 p -130.05 126.39 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 432' ' ' ILE . . . . . 0.574 ' O ' ' ND1' ' B' ' 452' ' ' HIS . 14.8 mt -103.35 113.59 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 433' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' B' ' 450' ' ' SER . 24.5 mt -102.81 143.11 32.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 434' ' ' ILE . . . . . 0.514 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 14.5 mt -148.64 119.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.639 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -122.56 127.54 49.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 436' ' ' LYS . . . . . 0.568 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.17 119.61 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.14 40.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.607 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.49 45.13 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -50.74 128.04 19.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.58 9.75 75.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 98.8 p -110.39 -4.24 15.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 110.58 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.18 153.89 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -56.97 -43.75 81.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.627 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 444' ' ' ILE . . . . . 1.053 ' H ' HD13 ' B' ' 444' ' ' ILE . 0.1 OUTLIER -95.13 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -105.81 154.69 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.344 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.46 24.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 31.0 m -149.49 130.6 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.214 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 448' ' ' TRP . . . . . 0.55 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.2 t-105 -114.78 116.26 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 449' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.2 m-20 -109.5 127.19 54.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 450' ' ' SER . . . . . 0.514 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 1.3 m -115.9 122.76 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 90.9 mt -127.96 100.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.217 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 452' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' B' ' 432' ' ' ILE . 2.4 m80 -108.63 132.42 53.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 453' ' ' VAL . . . . . 0.725 ' O ' HG22 ' B' ' 470' ' ' THR . 0.2 OUTLIER -128.73 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 5.8 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -131.8 102.16 5.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.328 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 456' ' ' VAL . . . . . 0.401 HG22 ' CE2' ' B' ' 467' ' ' TYR . 77.1 t -79.06 139.6 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.795 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -123.5 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 458' ' ' GLU . . . . . 0.513 ' CD ' ' N ' ' B' ' 459' ' ' LYS . 8.0 tm-20 -40.32 146.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 459' ' ' LYS . . . . . 0.592 ' CG ' ' O ' ' B' ' 464' ' ' THR . 34.0 mmtm -109.36 141.97 40.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.94 -54.17 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 36.1 p -126.71 146.56 50.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 462' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.75 48.17 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 463' ' ' ARG . . . . . 0.485 HH11 ' HG3' ' B' ' 463' ' ' ARG . 24.3 mmm-85 59.15 -0.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 464' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.23 123.59 29.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.445 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 465' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -92.93 126.6 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 467' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' B' ' 456' ' ' VAL . 84.3 m-85 -103.18 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -135.8 86.11 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.173 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.21 157.6 23.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.996 0.427 . . . . 0.0 111.09 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 470' ' ' THR . . . . . 0.74 ' O ' HG23 ' B' ' 470' ' ' THR . 14.7 t -157.89 62.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.05 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 471' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 95.2 p -64.65 174.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.127 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 472' ' ' THR . . . . . 0.515 HG23 ' OG1' ' B' ' 494' ' ' THR . 56.0 m -168.79 87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.151 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 473' ' ' VAL . . . . . 0.528 ' O ' ' OG ' ' B' ' 492' ' ' SER . 97.5 t -69.72 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 474' ' ' MET . . . . . 0.538 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.3 ttt -124.79 96.04 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.136 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 475' ' ' LEU . . . . . 0.726 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.8 OUTLIER -86.7 131.21 34.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 -179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 476' ' ' TRP . . . . . 0.726 ' N ' HD23 ' B' ' 475' ' ' LEU . 0.0 OUTLIER -125.31 130.28 51.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.223 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.4 mt -137.38 124.73 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 110.725 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 478' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' B' ' 479' ' ' THR . 52.5 tt0 -138.24 158.13 44.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 479' ' ' THR . . . . . 0.607 ' HB ' HG22 ' B' ' 444' ' ' ILE . 1.9 t -163.44 127.51 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 480' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 98.8 m-20 -108.2 73.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 481' ' ' LYS . . . . . 0.874 ' O ' ' N ' ' B' ' 485' ' ' GLY . 66.4 tttm -107.61 146.6 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 62.2 p -57.26 -45.96 83.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.66 -25.24 68.74 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 484' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.2 p -125.93 14.86 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 485' ' ' GLY . . . . . 0.874 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 486' ' ' THR . . . . . 0.473 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 18.5 p -126.06 114.0 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.479 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 487' ' ' MET . . . . . 0.594 ' C ' HD22 ' B' ' 488' ' ' ASN . 11.6 ttp -125.11 118.03 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 488' ' ' ASN . . . . . 0.594 HD22 ' C ' ' B' ' 487' ' ' MET . 1.1 m-80 -118.98 123.93 45.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 489' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 17.9 tp -131.61 76.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.47 -163.85 21.74 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 491' ' ' GLY . . . . . 0.573 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.65 11.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 492' ' ' SER . . . . . 0.573 ' HB2' ' O ' ' B' ' 491' ' ' GLY . 27.0 t 163.24 135.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.478 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 493' ' ' LEU . . . . . 1.055 HD13 ' H ' ' B' ' 494' ' ' THR . 0.2 OUTLIER -110.59 149.43 30.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 494' ' ' THR . . . . . 1.055 ' H ' HD13 ' B' ' 493' ' ' LEU . 55.5 m -127.09 142.86 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.517 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -149.95 128.75 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -92.87 160.58 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 3.1 tpp -160.02 130.46 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 498' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 498' ' ' GLU . 4.0 mp0 -133.49 141.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -172.26 145.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 500' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.4 p-10 -91.23 125.21 35.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 501' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.7 tt0 -120.67 160.19 23.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 76.1 p -94.24 131.8 39.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.6 122.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.94 -35.89 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.2 p -83.6 -19.89 34.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.6 t -135.43 73.4 63.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.614 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.58 -172.54 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.742 2.295 . . . . 0.0 112.176 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -58.79 -62.73 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.474 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 510' ' ' ILE . . . . . 0.421 ' H ' HG13 ' B' ' 510' ' ' ILE . 67.4 mt -42.69 -49.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.29 71.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 512' ' ' ASN . . . . . 0.432 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 46.6 m-20 -62.96 -48.1 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 513' ' ' ILE . . . . . 0.55 ' O ' HG23 ' B' ' 517' ' ' VAL . 67.6 mt -61.07 -33.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 514' ' ' GLY . . . . . 0.505 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.77 -46.53 74.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -57.35 -44.36 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.15 -52.51 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.598 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 517' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 513' ' ' ILE . 94.3 t -55.48 -47.24 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -57.89 -51.66 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.81 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 519' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.4 t0 -63.55 -37.5 87.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.733 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.39 -49.37 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.759 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.62 -45.23 93.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 522' ' ' ASN . . . . . 0.583 HD22 HH12 ' A' ' 259' ' ' ARG . 2.8 m120 -56.96 -41.43 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -70.61 -38.46 73.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.35 -24.41 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 525' ' ' ARG . . . . . 0.656 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.73 -27.64 66.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.661 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 526' ' ' SER . . . . . 0.538 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 69.2 p -85.04 -38.74 18.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.3 m -66.04 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.649 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 528' ' ' LEU . . . . . 0.682 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 66.1 mt -64.95 -42.38 94.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.692 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.5 -31.33 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 530' ' ' GLU . . . . . 0.961 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.4 mt-10 -74.32 -54.44 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.47 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 532' ' ' TYR . . . . . 0.682 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 18.0 m-85 -50.23 -86.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 533' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.59 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 534' ' ' GLY . . . . . 0.961 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.14 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 64.8 mttp -56.94 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 536' ' ' THR . . . . . 0.631 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.6 p -34.78 -58.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.31 -53.29 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.19 -44.94 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 539' ' ' ILE . . . . . 0.626 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 36.6 mm -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.46 -41.95 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -69.76 -17.14 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.49 -27.37 47.98 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 543' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.9 mt -68.11 -51.41 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 544' ' ' ARG . . . . . 0.689 ' HG2' ' H ' ' B' ' 545' ' ' SER . 9.1 ttp180 -141.81 170.09 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 545' ' ' SER . . . . . 0.689 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.4 t -142.22 137.82 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -43.5 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.83 138.62 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 548' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.49 122.11 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.536 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 549' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' B' ' 551' ' ' ASP . 77.8 mt -79.52 112.72 31.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 550' ' ' PRO . . . . . 0.569 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.4 Cg_exo -46.54 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.862 2.375 . . . . 0.0 112.121 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 551' ' ' ASP . . . . . 0.569 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.6 p-10 -25.24 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 552' ' ' ASN . . . . . 0.546 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 45.3 p-10 -129.88 116.11 18.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.57 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 553' ' ' GLN . . . . . 0.644 ' CD ' ' H ' ' B' ' 553' ' ' GLN . 1.4 pm0 -85.21 -24.8 27.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 554' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' B' ' 558' ' ' LEU . 50.5 mtmt -52.55 -64.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 555' ' ' TYR . . . . . 0.546 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.1 m-85 -45.19 -56.71 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -57.53 -46.92 83.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -65.83 -29.71 70.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.805 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 558' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 554' ' ' LYS . 60.9 tp -77.74 -30.36 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.54 -36.4 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -58.22 -40.54 81.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 561' ' ' GLU . . . . . 0.534 ' O ' HG23 ' B' ' 565' ' ' VAL . 80.1 mm-40 -67.81 -61.82 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.648 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 562' ' ' LEU . . . . . 0.889 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 1.1 tt -49.02 -40.77 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.649 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.4 m -61.19 -76.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.683 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -36.64 -13.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.688 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 565' ' ' VAL . . . . . 0.889 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 15.5 t -72.09 -42.74 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 566' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 563' ' ' SER . 76.4 mt -81.4 -35.62 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.0 p -70.28 -19.54 63.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -117.59 6.69 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.1 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 570' ' ' GLN . . . . . 0.798 ' O ' HG22 ' B' ' 571' ' ' ILE . 40.3 tt0 139.8 128.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 571' ' ' ILE . . . . . 0.798 HG22 ' O ' ' B' ' 570' ' ' GLN . 14.0 tt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 601' ' ' MET . . . . . 0.498 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.18 5.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -49.77 -37.85 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -69.68 -52.18 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -55.11 -28.92 56.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.68 -53.68 8.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 607' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 2.7 ptt? -72.75 -36.82 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 608' ' ' TRP . . . . . 0.417 ' N ' ' CG ' ' C' ' 607' ' ' MET . 76.1 t-105 -56.79 -15.99 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 609' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.45 -50.68 13.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 610' ' ' LEU . . . . . 0.668 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.5 mp -66.28 2.06 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 611' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.5 tttm -102.09 -66.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -70.38 -4.26 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 613' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.05 21.81 58.47 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 7.2 m-20 -63.86 49.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 615' ' ' LEU . . . . . 0.977 ' O ' HD13 ' C' ' 615' ' ' LEU . 3.0 tm? -44.97 -17.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.77 -27.53 50.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 617' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' C' ' 614' ' ' ASP . 55.3 tp10 -81.49 -49.86 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.598 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 618' ' ' VAL . . . . . 0.688 HG11 HD11 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -62.84 -28.37 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.563 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 619' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.2 tttp -66.26 -21.86 66.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 620' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.1 t0 -75.32 -45.42 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.96 -59.14 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 11.1 m -57.74 -27.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 623' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.68 -16.81 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 625' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.92 82.39 0.1 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 626' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.1 pt-20 34.27 95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 627' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 48.3 p-10 -140.98 62.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.602 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 628' ' ' VAL . . . . . 0.644 HG11 ' O ' ' C' ' 654' ' ' LEU . 35.5 t -121.98 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -173.02 5.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 630' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' C' ' 631' ' ' THR . 5.8 tpt180 -79.01 166.87 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.1 87.68 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.6 tp -31.29 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 633' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' C' ' 634' ' ' GLY . 12.0 tm-20 -71.69 -76.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 634' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' C' ' 633' ' ' GLU . . . -153.7 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 635' ' ' GLY . . . . . 0.497 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.43 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 636' ' ' ARG . . . . . 0.696 HH21 ' CD2' ' C' ' 640' ' ' HIS . 68.1 mtp180 -127.97 164.88 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.505 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 637' ' ' LYS . . . . . 0.58 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 638' ' ' PRO . . . . . 0.478 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.4 Cg_endo -73.66 25.0 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.871 2.381 . . . . 0.0 112.083 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 639' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.3 mp -117.7 -16.29 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 640' ' ' HIS . . . . . 0.696 ' CD2' HH21 ' C' ' 636' ' ' ARG . 18.9 t60 -75.24 -43.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.73 -35.95 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -45.0 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.609 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 644' ' ' ASP . . . . . 0.502 ' O ' ' SG ' ' C' ' 645' ' ' CYS . 33.3 m-20 -60.59 -35.68 76.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 645' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 20.1 m -160.89 65.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.1 4.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 647' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 42.9 tt0 51.74 4.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.569 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 648' ' ' LEU . . . . . 0.896 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.58 7.06 5.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -115.78 -12.64 11.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 650' ' ' ILE . . . . . 0.628 ' O ' HD12 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -87.53 -36.15 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 651' ' ' LEU . . . . . 1.055 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.29 -52.92 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.615 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 652' ' ' GLU . . . . . 0.835 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 82.6 tt0 -56.2 -22.57 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.1 m-85 -75.85 -97.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 654' ' ' LEU . . . . . 0.813 HD12 ' H ' ' C' ' 654' ' ' LEU . 1.9 mp -41.32 6.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.0 tt -102.93 -47.85 4.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 656' ' ' LEU . . . . . 0.626 ' O ' HD23 ' C' ' 656' ' ' LEU . 0.9 OUTLIER -59.26 -25.38 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.536 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -90.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.518 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 658' ' ' GLY . . . . . 0.6 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.35 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 659' ' ' ALA . . . . . 0.703 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.08 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 660' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' C' ' 662' ' ' ASN . 87.6 m-20 -57.42 10.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 661' ' ' ILE . . . . . 0.703 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.9 tp -66.09 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 662' ' ' ASN . . . . . 1.106 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.1 p30 -163.7 -18.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 663' ' ' ALA . . . . . 0.775 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.1 -33.68 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 664' ' ' PRO . . . . . 1.106 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 84.6 Cg_exo -46.94 120.79 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.882 2.388 . . . . 0.0 112.123 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 665' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.5 p-10 -125.9 -50.44 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 666' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 69.0 mttm -78.79 -16.16 57.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 667' ' ' HIS . . . . . 0.505 ' O ' HG22 ' C' ' 669' ' ' ILE . 35.5 m80 -80.44 -6.31 57.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 40.53 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.644 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 669' ' ' ILE . . . . . 0.505 HG22 ' O ' ' C' ' 667' ' ' HIS . 17.1 tt -176.89 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 670' ' ' THR . . . . . 0.414 HG23 ' H ' ' C' ' 670' ' ' THR . 0.2 OUTLIER -96.23 168.7 10.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 671' ' ' PRO . . . . . 0.452 ' O ' ' OG ' ' C' ' 674' ' ' SER . 55.0 Cg_endo -72.46 -30.53 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.85 2.367 . . . . 0.0 112.118 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 1.1 tp -45.35 -49.06 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 673' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.83 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 674' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 20.5 p -51.78 -40.89 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 675' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.55 -30.02 61.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 676' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 7.9 t -47.13 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 677' ' ' TYR . . . . . 0.42 ' N ' HG12 ' C' ' 676' ' ' VAL . 0.7 OUTLIER -77.84 39.34 0.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 678' ' ' GLU . . . . . 0.64 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 37.6 mm-40 -124.5 -28.68 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.24 -11.29 72.48 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 680' ' ' HIS . . . . . 0.899 ' O ' ' N ' ' C' ' 682' ' ' SER . 48.3 m80 -71.99 -53.48 12.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 681' ' ' VAL . . . . . 0.522 HG12 HD11 ' C' ' 713' ' ' ILE . 1.2 m 43.24 -4.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 682' ' ' SER . . . . . 0.899 ' N ' ' O ' ' C' ' 680' ' ' HIS . 0.3 OUTLIER -67.45 -24.26 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.95 -48.73 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 684' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' C' ' 687' ' ' LEU . 59.0 t -41.86 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 685' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' C' ' 687' ' ' LEU . 88.8 tttt -62.59 -73.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.99 1.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 687' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' C' ' 685' ' ' LYS . 3.4 mt -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 1.1 mp -45.64 -21.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.5 m -55.76 -21.54 19.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -99.61 -6.27 27.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 691' ' ' GLY . . . . . 1.078 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.93 0.42 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 692' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.26 18.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.315 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 693' ' ' ASP . . . . . 1.078 ' N ' ' O ' ' C' ' 691' ' ' GLY . 9.7 p-10 33.09 -128.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 694' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' C' ' 693' ' ' ASP . 26.1 pttm -152.5 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.552 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 695' ' ' THR . . . . . 0.525 ' N ' ' OD2' ' C' ' 693' ' ' ASP . 3.7 m -156.58 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 696' ' ' VAL . . . . . 0.754 HG13 ' CG ' ' C' ' 693' ' ' ASP . 0.0 OUTLIER -93.52 -29.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -140.21 23.57 2.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.78 20.33 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 699' ' ' PRO . . . . . 0.65 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 78.1 Cg_exo -44.73 -27.76 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 700' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.0 t70 157.66 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 701' ' ' GLY . . . . . 0.573 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.81 0.38 89.15 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 702' ' ' LEU . . . . . 0.644 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.4 tt -53.83 -66.67 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.632 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 703' ' ' THR . . . . . 0.867 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 11.8 p 16.19 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 704' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.61 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 705' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.5 tp -62.82 -75.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.75 15.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 707' ' ' ALA . . . . . 0.867 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.45 -70.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 29.4 p -139.78 -142.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -148.79 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -72.59 151.86 42.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -71.53 -20.53 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.14 -60.44 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 713' ' ' ILE . . . . . 0.547 HG23 HG22 ' C' ' 676' ' ' VAL . 35.5 mm -69.99 -37.65 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.05 -29.96 23.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 716' ' ' LEU . . . . . 1.063 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.06 98.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 717' ' ' LEU . . . . . 1.063 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.3 mm? 124.1 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 718' ' ' GLN . . . . . 0.516 ' OXT' ' NE2' ' C' ' 718' ' ' GLN . 37.3 tp60 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.621 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.441 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.1 m -54.15 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.761 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.0 m -45.94 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.665 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 45.2 p-10 -64.93 -33.58 76.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.64 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 81.8 tt0 -60.48 -39.3 87.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.561 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.541 ' O ' HG12 ' A' ' 16' ' ' ILE . 95.9 mt-10 -67.56 -40.99 84.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -63.73 -35.87 82.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 10' ' ' ASP . 61.0 t -65.3 -43.7 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.521 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.409 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.6 mtm180 -61.59 -39.71 92.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 12' ' ' GLU . 50.8 mm -65.46 -47.36 87.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.497 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.97 75.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.96 -37.68 75.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 31.4 ttpt -65.86 -41.33 91.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.2 -44.84 87.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.71 -46.49 85.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.561 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.5 p -75.96 8.44 3.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.647 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.71 15.3 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.575 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.48 146.98 81.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.476 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 13.2 Cg_exo -68.21 167.52 21.8 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.815 2.343 . . . . 0.0 112.025 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -70.93 116.18 4.57 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.733 2.288 . . . . 0.0 112.16 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.52 35.28 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.513 ' OE2' ' NH2' ' B' ' 315' ' ' ARG . 94.8 mt-10 -149.29 37.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.776 0.322 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -73.83 -48.87 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.591 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.03 -57.4 12.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.573 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -44.52 -54.44 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.469 ' O ' HG23 ' A' ' 36' ' ' VAL . 53.2 t -60.76 -42.51 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.626 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.21 -50.91 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.598 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.02 -37.93 81.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.64 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.08 -42.06 97.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.629 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 32' ' ' VAL . 92.8 t -67.07 -41.82 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.599 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -56.39 -54.76 41.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.589 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD1' ' SG ' ' B' ' 308' ' ' CYS . 64.2 mt -59.31 -34.82 72.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.8 mt -73.2 -49.74 26.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.43 HD12 HD22 ' B' ' 331' ' ' LEU . 13.6 tp -61.73 -32.62 72.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.53 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.1 t30 46.64 49.69 13.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 7.3 m120 -168.65 79.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.618 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.85 -37.97 54.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -54.13 -44.2 71.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.555 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.0 mp -77.3 -30.83 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.629 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.695 ' O ' HD23 ' A' ' 46' ' ' LEU . 1.3 tt -62.81 -38.6 91.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.23 -35.54 80.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.601 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -40.97 -59.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.9 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.14 -56.76 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.835 0.35 . . . . 0.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.83 -46.53 87.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -54.35 -36.94 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.58 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.44 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.59 -56.53 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.582 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.568 ' O ' ' SD ' ' A' ' 59' ' ' MET . . . -52.72 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.562 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 92.5 mm-40 -33.65 -45.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -60.11 -72.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -46.96 -30.93 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.524 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.629 ' SD ' ' N ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -68.87 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.557 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.83 10.01 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.609 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 11.1 mm100 -124.58 24.8 7.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.607 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.59 ' C ' ' O ' ' A' ' 61' ' ' GLN . 79.5 m-85 23.87 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.527 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 31.4 m -58.82 111.36 3.55 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.605 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.8 Cg_exo -75.71 115.23 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.884 2.39 . . . . 0.0 112.211 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.647 HG22 ' N ' ' A' ' 66' ' ' LYS . 7.1 p -109.4 165.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.479 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.647 ' N ' HG22 ' A' ' 65' ' ' VAL . 64.9 mttp -125.16 103.97 8.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.559 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.0 mp -51.57 148.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.645 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.9 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.519 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.44 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.801 ' O ' ' N ' ' A' ' 72' ' ' ASP . 65.4 m-85 -137.43 14.73 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.617 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.618 ' C ' ' O ' ' A' ' 70' ' ' TYR . 34.6 p30 20.23 39.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 1.058 ' O ' ' N ' ' A' ' 74' ' ' VAL . 40.7 t0 -98.73 19.44 14.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.2 mp0 -0.26 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.471 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.058 ' N ' ' O ' ' A' ' 72' ' ' ASP . 11.4 p -63.87 173.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 74' ' ' VAL . 9.9 mp -113.39 152.34 30.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.493 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 87' ' ' PHE . 81.5 mt -104.08 105.45 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.764 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 3.0 p -130.11 -176.95 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -31.32 46.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.471 ' CD2' HG21 ' A' ' 155' ' ' ILE . 73.6 m-70 -63.97 -23.59 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.66 50.56 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.416 ' HA ' ' CD1' ' A' ' 87' ' ' PHE . 67.4 t0 -85.49 100.02 11.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tp -49.68 -51.48 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.7 25.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -116.14 1.31 13.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.791 0.329 . . . . 0.0 110.55 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.458 ' O ' ' CE1' ' A' ' 98' ' ' PHE . . . 121.13 -15.75 9.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -108.37 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.764 ' CE2' ' O ' ' A' ' 77' ' ' THR . 1.4 m-85 -114.48 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 tp -118.3 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.693 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.701 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 9.9 t70 -139.33 89.02 12.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.358 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -61.05 -36.67 81.0 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.826 2.351 . . . . 0.0 112.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HE ' ' NH2' ' A' ' 129' ' ' ARG . 0.5 OUTLIER -59.46 -75.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -76.54 -20.27 57.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.56 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 49.1 mttt 62.71 62.06 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.511 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.553 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 6.1 mt -146.45 154.44 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.827 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.8 t -92.72 133.04 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.563 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 49.6 p90 -140.11 136.68 33.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 66.0 tttm -88.7 113.45 24.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.59 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.868 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 45.1 p90 -82.7 133.03 35.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.579 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.529 ' O ' ' O ' ' A' ' 102' ' ' ARG . 27.0 t0 -104.51 90.11 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.663 ' H ' ' CD2' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.39 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 42.6 tp -47.49 -81.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.608 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.529 ' O ' ' O ' ' A' ' 99' ' ' ASP . 99.1 mtt180 -52.84 156.29 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.534 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -88.87 2.36 53.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -117.28 150.25 39.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.575 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.868 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.551 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 64.5 m -95.55 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.592 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t70 73.79 54.42 0.28 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.827 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.47 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.813 2.342 . . . . 0.0 112.065 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.808 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.9 OUTLIER -160.12 124.55 2.1 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.487 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.21 131.0 17.57 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.82 2.347 . . . . 0.0 112.028 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -122.84 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.615 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.4 p-10 -75.5 88.43 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.634 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.45 ' OG1' ' CE ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -46.89 164.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -76.13 -30.0 58.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.84 35.67 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.57 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.79 -59.92 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.515 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.438 ' N ' HD23 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -104.14 3.37 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.527 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.45 ' CE ' ' OG1' ' A' ' 113' ' ' THR . 5.3 mptt -54.04 -41.88 68.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -39.17 -56.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.549 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -62.49 -47.6 83.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.556 ' O ' ' C ' ' A' ' 122' ' ' ASP . 8.4 tmm_? -53.91 -80.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.545 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.556 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.6 t0 -25.42 -45.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.547 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.536 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.7 t -51.12 -48.56 61.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.445 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 63.6 t0 -40.36 -80.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 80.1 p -48.01 -46.15 32.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.478 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.49 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.0 tt -72.79 -12.18 60.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.513 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.531 ' NH2' ' HE ' ' A' ' 91' ' ' ARG . 38.6 ttm180 -66.44 -32.74 74.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.592 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.646 ' HA ' ' HG2' ' A' ' 133' ' ' LYS . . . -81.67 -39.28 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.519 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.453 ' HB2' ' CG2' ' A' ' 229' ' ' ILE . 57.0 t80 -54.73 -38.81 67.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 134' ' ' ASP . 6.6 p -74.77 -40.52 46.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.496 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.646 ' HG2' ' HA ' ' A' ' 130' ' ' ALA . 0.1 OUTLIER -76.08 25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 72.0 m-20 -147.52 7.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.58 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 92.7 m-70 -151.02 -21.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.544 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 6.2 m-85 -114.66 106.48 52.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.462 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.62 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.769 2.313 . . . . 0.0 112.033 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.566 ' HB2' HD11 ' A' ' 75' ' ' LEU . 96.3 m-85 -135.03 158.18 45.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.33 . . . . 0.0 110.575 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.8 p -129.53 162.34 28.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.537 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 51.6 m -161.44 97.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.57 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.4 t -75.71 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.596 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 46.7 m-85 -120.23 124.35 45.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.72 84.52 0.37 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.425 ' C ' ' CD1' ' A' ' 117' ' ' LEU . 43.2 pttt -123.79 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.543 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.6 t -107.61 115.4 30.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 148' ' ' ILE . 1.2 tp -91.14 104.12 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 46.65 54.18 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.556 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.17 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -53.79 129.78 34.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.717 ' HB2' HG13 ' A' ' 181' ' ' ILE . 4.2 mt-30 -85.76 150.48 24.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.375 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.721 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.4 t -155.24 146.16 22.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.716 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.52 110.02 30.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.443 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 81.5 mt -98.06 117.08 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 115.98 27.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.276 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 32.2 m -106.11 135.43 47.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.244 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.59 ' OE2' ' O ' ' A' ' 173' ' ' TRP . 10.1 tp10 -131.3 151.9 51.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 0.0 111.017 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.732 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.93 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.247 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.568 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 26.4 p80 -140.62 170.63 15.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.944 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.7 mm-40 -148.67 77.9 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -65.43 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.976 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.651 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 5.7 tp-100 -167.98 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.686 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.0 Cg_exo -60.7 -52.07 4.19 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.817 2.344 . . . . 0.0 112.137 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -43.93 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.499 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . 0.686 ' N ' ' O ' ' A' ' 165' ' ' PRO . 13.1 m120 -121.94 -10.42 8.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.49 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.815 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.06 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.815 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.4 p-90 158.74 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.702 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.358 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.09 29.04 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.568 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 42.8 ttm180 -165.69 136.64 3.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.337 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' TRP . . . . . 0.732 ' N ' ' O ' ' A' ' 160' ' ' SER . 10.9 t-105 -107.55 138.96 42.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.582 HH21 ' NE2' ' A' ' 61' ' ' GLN . 94.8 mtt180 -125.39 152.25 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.225 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.455 ' HG ' ' HE1' ' A' ' 173' ' ' TRP . 0.7 OUTLIER -166.3 111.11 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.897 0.379 . . . . 0.0 111.037 -179.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 78.7 tt0 -116.44 124.65 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.106 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.616 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 47.5 m95 -120.56 116.91 26.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.95 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -98.6 119.83 38.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.721 ' O ' ' HA ' ' A' ' 153' ' ' THR . 1.8 t80 -117.49 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.681 ' O ' ' O ' ' A' ' 179' ' ' PHE . 3.0 m -50.04 -131.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.618 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . 0.844 ' O ' HG23 ' A' ' 182' ' ' THR . 0.3 OUTLIER -164.26 151.38 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.932 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.35 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.459 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 1.037 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 85.0 Cg_exo -34.32 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 123.463 2.776 . . . . 0.0 112.696 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . 0.932 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.4 Cg_endo -79.84 -4.35 13.34 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.828 2.352 . . . . 0.0 112.118 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . 1.029 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.35 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.264 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.172 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.85 131.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.918 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 1.044 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 77.7 mt-30 -106.78 -115.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.243 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.767 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.4 t 145.68 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.674 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.87 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.376 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.6 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.7 p -165.74 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.549 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . 0.915 ' N ' HD22 ' A' ' 192' ' ' LEU . 2.1 mm? -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 12.4 mttp -150.37 147.78 28.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.759 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . 0.516 ' CG2' ' HB3' ' A' ' 208' ' ' SER . 1.9 tp -149.41 134.04 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.252 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -142.35 130.32 21.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.947 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.701 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 46.8 t -132.67 136.63 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.131 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . 0.768 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 7.9 t60 -126.51 141.64 51.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.956 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' TYR . . . . . 0.537 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.3 t80 -145.61 87.17 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.584 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.09 87.77 3.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' GLU . . . . . 0.792 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.6 tt0 -129.49 52.24 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.287 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . 0.792 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 86.4 m-20 114.85 2.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.64 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' B' ' 314' ' ' ARG . 15.6 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.649 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.8 t -127.05 129.18 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.543 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' GLN . . . . . 0.701 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 33.2 mt-30 -136.75 154.13 50.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.464 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.7 tt -122.28 87.24 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.671 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 88.2 t -90.05 122.22 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.374 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.847 ' OG ' ' HA ' ' B' ' 487' ' ' MET . 0.1 OUTLIER -149.57 147.21 27.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.819 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . 0.477 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 31.1 p80 -157.83 145.11 18.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 55.1 tttp -135.5 129.12 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.2 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.229 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.14 154.91 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.918 0.39 . . . . 0.0 110.953 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . 0.478 ' N ' ' CD ' ' A' ' 213' ' ' GLN . 1.1 pm0 -150.22 102.56 3.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' ASP . . . . . 0.606 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 96.5 m-20 -118.82 166.08 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.713 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 1.044 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 28.7 p -117.79 103.43 9.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' VAL . . . . . 1.172 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 78.7 t -91.96 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . 1.029 ' HA ' ' O ' ' A' ' 185' ' ' THR . 76.7 mt-30 -102.65 128.05 49.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.568 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 1.072 HG23 ' HB2' ' A' ' 186' ' ' ALA . 70.6 t -85.97 137.48 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.664 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 47.9 t -131.02 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 1.9 t -100.29 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' ASP . . . . . 0.467 ' O ' HG22 ' A' ' 224' ' ' THR . 66.8 t0 -86.82 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.03 -24.81 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -73.92 -56.74 4.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.569 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.573 ' OG1' ' CZ ' ' A' ' 228' ' ' PHE . 14.8 t -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.56 -57.12 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.424 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -57.1 -30.53 64.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.392 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.46 ' O ' HD13 ' A' ' 231' ' ' ILE . 70.8 tt0 -67.62 -38.72 84.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.43 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.573 ' CZ ' ' OG1' ' A' ' 224' ' ' THR . 22.5 m-85 -67.77 -53.91 23.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.389 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.9 mm -52.17 -27.34 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.395 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -74.8 -36.77 62.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.353 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ILE . . . . . 0.46 HD13 ' O ' ' A' ' 227' ' ' GLU . 1.3 mp -67.49 -41.19 85.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.428 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 177' ' ' TRP . 49.5 mt -70.15 -44.41 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -57.14 -47.0 82.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.436 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -69.58 -43.93 71.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.471 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.91 61.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.439 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.15 -44.17 95.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.476 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' ASN . . . . . 0.626 HD21 HD12 ' B' ' 546' ' ' ILE . 0.8 OUTLIER -60.03 -40.19 88.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.433 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.8 -34.34 73.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . 0.522 ' CE2' HD11 ' A' ' 243' ' ' ILE . 49.1 t80 -68.48 -44.38 74.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -68.17 -39.02 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.523 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 84.2 m -61.41 -45.79 92.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.68 71.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . 0.522 HD11 ' CE2' ' A' ' 239' ' ' TYR . 53.6 mt -69.16 -47.48 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.73 -34.18 74.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.592 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . 0.482 ' OE2' ' CE1' ' C' ' 677' ' ' TYR . 85.0 tt0 -66.89 -42.95 84.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.15 -34.57 76.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' TYR . . . . . 0.506 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.95 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -73.25 -50.85 20.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . 0.554 ' O ' ' HB ' ' A' ' 253' ' ' THR . 15.3 m -64.76 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.581 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 33.9 mtt -72.94 -14.45 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.554 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.5 p -113.01 -10.08 13.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 66.4 t0 -132.12 47.75 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.563 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.1 m 175.69 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . 0.554 ' N ' HG22 ' A' ' 253' ' ' THR . 9.0 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' PHE . . . . . 0.561 ' CE2' ' CZ ' ' B' ' 525' ' ' ARG . 48.0 t80 -47.62 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.583 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . 0.407 ' HA ' HH22 ' B' ' 525' ' ' ARG . 68.0 mttm -64.18 -11.82 34.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.23 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' ARG . . . . . 0.742 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.4 ttt180 -98.59 174.51 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.47 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' ARG . . . . . 0.742 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 31.8 mtp180 -109.24 153.18 24.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . 0.663 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 97.8 mt-30 -83.67 -11.27 57.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 5.7 mt -163.62 133.29 3.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' PRO . . . . . 0.719 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 78.8 Cg_exo -43.91 135.43 7.71 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.927 2.418 . . . . 0.0 112.063 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 265' ' ' THR . 3.7 m -37.85 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' THR . . . . . 0.479 ' O ' HG22 ' A' ' 267' ' ' THR . 72.1 p -64.24 -5.36 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 38.0 ttm180 54.16 55.54 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.477 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.8 t 173.28 114.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 64.1 mttp -16.87 131.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.645 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' ILE . . . . . 0.513 HD11 HG12 ' A' ' 274' ' ' ILE . 10.9 tt -50.32 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 96.8 m-20 -117.11 58.54 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.517 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' TRP . . . . . 0.604 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.6 m95 -21.41 -55.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 270' ' ' ASP . 24.3 t-20 -44.58 -25.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . 1.236 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 70.0 mmtt -99.96 -7.69 24.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.586 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 274' ' ' ILE . 1.7 mp -103.21 -1.17 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 73.4 mt -111.14 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . 1.295 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.9 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.636 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 1.236 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.8 t80 -31.07 43.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.621 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' LYS . . . . . 1.295 ' N ' ' O ' ' A' ' 276' ' ' SER . 27.8 mmtp -107.64 80.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.592 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.6 mp 54.21 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.66 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.547 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 22.7 t . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -42.73 -51.27 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.31 -34.15 63.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.497 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.7 -49.09 78.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.478 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.19 -40.65 77.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.82 95.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 308' ' ' CYS . . . . . 0.42 ' SG ' ' CD1' ' A' ' 38' ' ' LEU . 84.4 m -68.09 -37.2 80.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.355 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.16 -42.12 96.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.35 -38.41 84.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -68.28 -33.65 74.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.379 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.8 tp -68.84 -43.71 74.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.361 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 95.4 mmm -64.37 -25.67 68.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.376 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . 0.525 ' O ' ' ND2' ' A' ' 203' ' ' ASN . 5.3 mpt_? -82.23 -12.37 58.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.462 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 315' ' ' ARG . . . . . 0.651 HH11 ' HG2' ' B' ' 315' ' ' ARG . 0.0 OUTLIER -100.08 -46.91 5.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.521 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.58 147.73 95.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.605 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.59 128.41 20.86 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.818 2.345 . . . . 0.0 112.029 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 318' ' ' PRO . . . . . 0.438 ' HA ' HG13 ' B' ' 321' ' ' ILE . 41.8 Cg_endo -71.5 -4.02 14.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.846 2.364 . . . . 0.0 112.047 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . 0.434 HE22 ' HB2' ' B' ' 488' ' ' ASN . 81.8 mt-30 -80.58 -17.82 50.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -123.92 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.553 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' ILE . . . . . 0.438 HG13 ' HA ' ' B' ' 318' ' ' PRO . 85.2 mt -63.39 -40.9 90.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.553 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -59.73 -60.8 3.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -54.65 -54.36 42.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.515 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.67 -55.81 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.45 HD12 HG11 ' B' ' 343' ' ' VAL . 3.9 tt -47.14 -48.93 23.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.436 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.6 t -57.04 -49.76 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.401 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -62.3 -40.76 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.508 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 60.0 tp -55.51 -41.01 72.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.517 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.48 -41.17 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.397 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -57.82 -37.99 74.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.397 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 331' ' ' LEU . 16.7 mt -71.23 -29.06 64.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.467 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -68.1 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.709 2.273 . . . . 0.0 112.099 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.29 -6.51 56.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.571 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.6 mt -119.0 20.87 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.642 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.8 t -64.11 -55.89 18.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.26 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.531 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -58.73 -36.12 73.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.516 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . 0.481 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.8 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.557 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' LEU . . . . . 0.642 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 45.4 mt -81.5 12.39 3.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.533 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.0 p -144.06 -3.78 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.5 m -119.32 -15.5 9.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' VAL . . . . . 0.45 HG11 HD12 ' B' ' 325' ' ' LEU . 96.7 t -105.86 120.05 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.501 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -87.87 128.61 35.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.26 165.95 28.85 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -44.43 125.25 5.84 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.873 2.382 . . . . 0.0 112.104 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' LEU . . . . . 0.471 HD21 HD11 ' B' ' 451' ' ' ILE . 93.4 mt -66.72 122.51 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.663 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' LYS . . . . . 0.506 ' O ' HD12 ' B' ' 361' ' ' LEU . 14.1 mptt -88.65 148.83 23.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.397 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.8 tt -102.96 136.39 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.744 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' ALA . . . . . 0.719 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.63 157.66 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -114.31 143.31 45.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 63.8 t0 -111.91 81.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.415 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.6 mttt -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.635 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.49 -52.67 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.617 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 6.4 t -92.97 -25.42 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.15 24.68 70.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' B' ' 352' ' ' ASP . 41.4 mmtm -115.1 154.86 28.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.6 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' ASP . . . . . 0.719 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.1 m-20 -94.77 143.09 26.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.692 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 44.4 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.19 156.64 38.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.556 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.677 ' N ' HD12 ' B' ' 361' ' ' LEU . 4.8 mp -108.53 158.58 17.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.557 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 362' ' ' CYS . . . . . 0.641 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 25.3 p -168.26 168.65 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.559 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' ASP . . . . . 0.642 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.49 -10.3 59.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 364' ' ' TYR . . . . . 0.463 ' HB2' HG11 ' B' ' 431' ' ' VAL . 98.1 m-85 -88.34 -18.22 28.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.489 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 365' ' ' ASN . . . . . 0.641 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 41.9 p-10 -123.23 24.75 8.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 366' ' ' ARG . . . . . 0.445 ' CZ ' ' OH ' ' B' ' 371' ' ' TYR . 58.5 ttt180 -119.96 129.85 54.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.481 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -122.19 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.532 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.05 -98.74 1.74 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.33 8.77 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 0.0 110.606 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 370' ' ' SER . . . . . 1.009 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 3.6 m -122.4 161.35 23.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 371' ' ' TYR . . . . . 1.104 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.4 m-85 -118.29 150.75 38.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.573 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . 0.764 ' NH1' ' O ' ' B' ' 387' ' ' ALA . 2.1 ttm-85 -98.72 124.74 43.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.645 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 373' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 78.8 p -79.62 133.76 58.78 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.778 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.89 -14.77 19.15 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.869 2.379 . . . . 0.0 112.21 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -85.87 -66.27 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.1 p -83.17 -18.6 38.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.608 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 377' ' ' ASN . . . . . 0.593 ' HA ' ' O ' ' B' ' 373' ' ' SER . 22.9 t30 70.3 40.72 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.569 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -141.53 137.84 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 379' ' ' TYR . . . . . 1.104 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.69 140.43 58.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.629 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . 0.755 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.98 -60.41 6.19 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.387 179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 1.009 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 31.4 Cg_exo -65.42 120.0 7.13 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 122.962 2.442 . . . . 0.0 112.323 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -41.5 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.014 2.476 . . . . 0.0 112.276 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.56 177.59 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.516 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -111.66 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.575 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -117.0 66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.535 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 386' ' ' GLY . . . . . 0.817 ' HA3' ' CZ ' ' B' ' 379' ' ' TYR . . . -72.23 151.72 47.34 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 387' ' ' ALA . . . . . 0.764 ' O ' ' NH1' ' B' ' 372' ' ' ARG . . . -63.96 127.23 30.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 0.0 110.564 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -132.29 148.52 70.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.574 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.92 150.77 49.73 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.765 2.31 . . . . 0.0 112.152 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.75 142.92 17.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.565 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.83 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -67.79 -37.9 82.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.54 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.84 -42.44 70.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.536 ' NE ' ' ND2' ' B' ' 377' ' ' ASN . 42.6 ttm180 -55.33 -36.77 66.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.395 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -63.55 -46.56 85.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.353 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.39 -31.96 73.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.33 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' B' ' 401' ' ' ASN . 81.1 tt0 -67.86 -38.05 82.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.05 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.437 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.7 -37.05 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.311 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.95 94.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 401' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 57.4 m-80 -63.94 -39.01 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.363 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.12 -40.42 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.384 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.375 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.3 -29.2 67.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.66 -38.82 67.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.411 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -77.02 -32.98 57.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.358 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' TYR . . . . . 0.537 ' OH ' ' NH2' ' A' ' 259' ' ' ARG . 24.6 t80 -69.76 -18.56 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' ARG . . . . . 0.586 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.7 ttp180 -83.89 -35.44 24.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.532 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -85.24 -8.99 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.48 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 410' ' ' LEU . . . . . 0.676 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 51.5 mt -95.77 -17.93 20.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 411' ' ' TYR . . . . . 0.719 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.87 -38.04 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.589 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 3.0 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.599 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 413' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 95.0 mt-10 63.54 24.33 13.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.7 -154.5 25.48 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' GLY . . . . . 0.586 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.44 -163.49 52.9 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.53 ' HA ' HH11 ' B' ' 408' ' ' ARG . 16.7 t -128.69 153.75 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.439 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 33.7 p -143.6 148.5 35.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.7 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 9.4 p -148.17 143.98 27.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 66.4 t -132.83 130.21 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.759 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.719 ' C ' HD12 ' B' ' 421' ' ' LEU . 63.7 m-85 -128.44 132.5 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.719 HD12 ' C ' ' B' ' 420' ' ' TYR . 11.2 mp -119.69 158.44 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.709 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -154.51 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 52.3 p30 -43.04 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.677 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 424' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.3 mt -127.89 -147.72 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.576 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' B' ' 425' ' ' ASP . 26.1 p-10 -87.29 -49.85 6.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 426' ' ' HIS . . . . . 0.428 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 80.4 m80 -129.79 30.79 4.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.64 -135.72 2.58 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.68 154.08 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . 0.516 ' HB2' HD11 ' B' ' 424' ' ' LEU . . . -124.01 172.84 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.536 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.69 35.03 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 431' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.07 126.35 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 110.558 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.32 113.69 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 450' ' ' SER . 50.6 mt -102.9 143.22 32.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 434' ' ' ILE . . . . . 0.461 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.74 119.94 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.57 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -122.64 127.49 49.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 436' ' ' LYS . . . . . 0.561 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.09 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.636 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.93 138.13 40.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.638 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 439' ' ' ASP . . . . . 0.654 ' CG ' ' HZ1' ' C' ' 611' ' ' LYS . 94.5 m-20 -50.67 128.06 19.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.524 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.73 76.1 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.7 p -110.33 -4.25 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.657 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' C' ' 677' ' ' TYR . 41.7 tptt -89.2 153.86 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 443' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' B' ' 442' ' ' LYS . 53.7 mtmt -56.88 -43.82 81.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.62 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 444' ' ' ILE . . . . . 0.46 ' H ' ' HG3' ' B' ' 442' ' ' LYS . 54.0 mt -95.13 135.97 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.699 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -105.81 154.71 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.42 24.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.45 130.6 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.752 0.31 . . . . 0.0 110.251 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 448' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.6 t-105 -114.78 116.25 28.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 449' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 4.8 m-20 -109.46 127.16 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.289 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 450' ' ' SER . . . . . 0.523 ' OG ' ' NE2' ' B' ' 452' ' ' HIS . 1.8 t -115.93 122.83 46.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.921 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 451' ' ' ILE . . . . . 0.471 HD11 HD21 ' B' ' 347' ' ' LEU . 41.6 mt -127.97 100.75 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.222 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 452' ' ' HIS . . . . . 0.523 ' NE2' ' OG ' ' B' ' 450' ' ' SER . 15.3 m-70 -108.64 132.44 53.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 58.0 t -128.72 95.66 2.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.216 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 4.8 p -96.73 153.61 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -131.81 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 16.2 t -79.11 139.62 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -123.49 68.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.399 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 458' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 98.0 mt-10 -40.35 146.42 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.63 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 459' ' ' LYS . . . . . 0.414 ' CB ' ' O ' ' B' ' 464' ' ' THR . 64.4 tttm -109.38 141.95 41.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.522 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.88 -54.21 16.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.7 146.55 50.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 462' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.07 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 59.18 -0.19 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.73 0.3 . . . . 0.0 110.563 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.509 ' H ' ' C ' ' B' ' 462' ' ' GLY . 4.0 t -82.3 123.63 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.417 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.86 33.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -92.93 126.56 38.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.15 139.43 38.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.963 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -135.82 86.16 2.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 470' ' ' THR . . . . . . . . . . . . . 16.3 m -157.84 62.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.029 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.7 p -64.72 174.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.036 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 472' ' ' THR . . . . . 0.448 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.79 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.129 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 473' ' ' VAL . . . . . 0.467 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 91.9 t -69.72 143.86 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.058 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 474' ' ' MET . . . . . 0.459 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 18.4 ttm -124.85 95.99 4.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.133 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 475' ' ' LEU . . . . . 0.511 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.8 tp -86.68 131.18 34.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 476' ' ' TRP . . . . . 0.442 ' CD1' ' C ' ' B' ' 476' ' ' TRP . 3.6 t-105 -125.26 130.29 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.2 mt -137.35 124.69 21.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.742 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 478' ' ' GLN . . . . . 0.489 ' CG ' ' ND2' ' B' ' 488' ' ' ASN . 15.6 tm0? -138.22 158.15 44.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.434 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 479' ' ' THR . . . . . 0.521 ' CG2' ' HB3' ' B' ' 487' ' ' MET . 4.1 t -163.42 127.5 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 480' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.8 m-20 -108.22 73.78 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 88.4 tttt -107.58 146.68 31.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.569 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 482' ' ' THR . . . . . 0.525 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.6 m -57.27 -46.03 83.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.57 -25.31 68.68 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.1 p -125.9 14.87 8.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.908 0.385 . . . . 0.0 110.632 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 486' ' ' THR . . . . . 0.477 ' HG1' ' CE1' ' A' ' 209' ' ' HIS . 69.1 p -126.04 114.0 17.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.513 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 487' ' ' MET . . . . . 0.847 ' HA ' ' OG ' ' A' ' 208' ' ' SER . 11.7 ttt -125.11 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 488' ' ' ASN . . . . . 0.489 ' ND2' ' CG ' ' B' ' 478' ' ' GLN . 33.6 m120 -119.0 124.02 45.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.608 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 489' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.4 tp -131.69 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.41 -163.82 21.79 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 491' ' ' GLY . . . . . 0.628 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.87 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 492' ' ' SER . . . . . 0.628 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.0 p 163.25 135.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.758 0.314 . . . . 0.0 110.514 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 493' ' ' LEU . . . . . 0.55 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.48 149.44 30.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.643 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 494' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' B' ' 495' ' ' ARG . 5.3 p -127.09 142.87 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.504 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 495' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 494' ' ' THR . 15.0 mmt180 -149.95 128.73 12.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.666 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -92.88 160.53 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.55 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 16.3 tpp -160.03 130.49 5.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.66 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 498' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.9 pm0 -133.53 141.55 47.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.533 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -172.2 145.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.545 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.9 p-10 -91.2 125.21 35.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.514 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -120.72 160.17 23.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 67.6 p -94.27 131.9 39.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.64 122.38 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 86.7 p -143.01 -177.26 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.542 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.94 77.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.58 -19.87 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 22.0 t -135.45 73.47 62.7 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 508' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 7.9 Cg_exo -72.54 -172.62 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.851 2.368 . . . . 0.0 112.182 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -58.69 -62.73 1.64 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.538 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.9 mt -42.79 -49.0 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.558 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 511' ' ' ALA . . . . . 0.464 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -55.0 -49.25 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.626 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 512' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' B' ' 508' ' ' PRO . 77.4 m-20 -62.97 -48.18 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.565 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.05 -33.64 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.592 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.72 -46.63 73.76 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -57.29 -44.33 83.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.691 0.282 . . . . 0.0 110.731 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.26 -52.45 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.612 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.53 -47.15 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.602 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -57.91 -51.72 68.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 519' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.7 t0 -63.55 -37.48 87.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.694 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 5.3 tpt -64.37 -49.44 71.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.685 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 521' ' ' GLU . . . . . 0.402 ' OE1' ' CG2' ' B' ' 473' ' ' VAL . 2.9 tp10 -62.57 -45.35 93.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.688 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -56.81 -41.54 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -70.59 -38.42 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.757 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 524' ' ' ILE . . . . . 0.426 ' HA ' HD13 ' B' ' 524' ' ' ILE . 27.6 mm -74.48 -24.33 18.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.655 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 525' ' ' ARG . . . . . 0.561 ' CZ ' ' CE2' ' A' ' 255' ' ' PHE . 1.5 tmt_? -68.71 -27.68 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.3 t -85.01 -38.76 18.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.63 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 71.0 p -66.04 -35.79 81.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.644 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.709 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 44.6 mt -64.99 -42.37 94.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.54 -31.29 70.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.61 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . 0.967 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.2 mt-10 -74.4 -54.43 7.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -61.46 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.562 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 532' ' ' TYR . . . . . 0.709 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 15.9 m-85 -50.27 -86.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.554 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 533' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.77 40.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.585 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . 0.967 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' B' ' 536' ' ' THR . 31.0 mmtp -56.91 -68.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.557 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.661 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 51.2 p -34.79 -57.98 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.4 -53.28 30.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.601 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -53.17 -44.94 68.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.545 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 539' ' ' ILE . . . . . 0.662 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 34.3 mm -61.74 -36.04 71.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.643 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.46 -41.97 92.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -69.82 -17.08 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.53 -27.33 47.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.462 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.13 -51.44 46.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.418 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 544' ' ' ARG . . . . . 0.818 ' HG2' ' H ' ' B' ' 545' ' ' SER . 3.5 tmt_? -141.8 170.12 16.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.665 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 545' ' ' SER . . . . . 0.818 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.6 t -142.16 137.86 31.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 546' ' ' ILE . . . . . 0.626 HD12 HD21 ' A' ' 237' ' ' ASN . 10.7 tt -69.1 -43.45 81.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 547' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 548' ' ' ALA . 67.2 t0 -82.9 138.6 33.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.614 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.12 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.571 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' B' ' 551' ' ' ASP . 82.4 mt -79.54 112.75 31.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.2 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.92 2.413 . . . . 0.0 112.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.1 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.612 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 552' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' B' ' 550' ' ' PRO . 15.5 m120 -129.9 116.19 18.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.524 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -85.3 -24.79 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' B' ' 558' ' ' LEU . 64.4 tttm -52.56 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -45.13 -56.69 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.695 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 556' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' B' ' 556' ' ' LYS . 4.1 mptp? -57.53 -46.95 83.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.762 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.81 -29.72 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.786 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.3 tp -77.76 -30.37 51.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.652 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -73.54 -36.38 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -58.2 -40.51 81.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.777 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 561' ' ' GLU . . . . . 0.576 ' O ' HG23 ' B' ' 565' ' ' VAL . 72.6 mm-40 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.699 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 50.0 tp -49.1 -40.69 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.653 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.6 m -61.21 -76.26 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.736 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -36.72 -13.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 22.3 t -72.11 -42.71 67.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.0 tp -81.45 -35.57 30.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.612 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.22 -19.65 63.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.612 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -117.51 6.63 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.94 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.858 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.5 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.653 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 571' ' ' ILE . . . . . 0.858 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 3.5 mm . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.491 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 601' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 5.5 m 62.1 5.98 1.64 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.541 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 603' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' C' ' 607' ' ' MET . 10.8 p-10 -49.85 -37.78 32.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.514 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 604' ' ' LYS . . . . . 0.451 ' H ' ' HG3' ' C' ' 604' ' ' LYS . 59.0 mttt -69.71 -52.2 27.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.533 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.09 -28.93 56.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -75.64 -53.66 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 607' ' ' MET . . . . . 0.533 ' HG2' HD11 ' C' ' 632' ' ' LEU . 44.1 mtm -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -56.76 -16.02 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 609' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.42 -50.69 13.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.639 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.2 1.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 611' ' ' LYS . . . . . 0.654 ' HZ1' ' CG ' ' B' ' 439' ' ' ASP . 54.0 tttp -102.07 -66.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -70.4 -4.22 21.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 613' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.83 58.53 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 9.6 t0 -63.89 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 615' ' ' LEU . . . . . 0.933 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.7 tm? -44.93 -17.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.578 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.71 -27.54 50.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.536 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 617' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.5 tp10 -81.54 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.611 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 618' ' ' VAL . . . . . 0.513 ' CG1' HD22 ' C' ' 615' ' ' LEU . 8.4 p -62.82 -28.37 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 619' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 87.9 tttt -66.23 -21.86 66.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.498 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 620' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 31.1 t70 -75.4 -45.48 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.572 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -60.91 -59.2 5.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.575 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.69 -27.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.561 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 623' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.67 -16.8 6.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.569 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -64.81 -76.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.571 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 625' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.88 82.31 0.1 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 626' ' ' GLU . . . . . 0.494 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.6 pt-20 34.31 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.756 0.312 . . . . 0.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 627' ' ' ASP . . . . . 0.537 ' O ' ' NE ' ' C' ' 630' ' ' ARG . 40.0 m-20 -141.0 62.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.607 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 628' ' ' VAL . . . . . 0.788 ' O ' HG23 ' C' ' 628' ' ' VAL . 19.9 m -121.97 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 629' ' ' ASN . . . . . 0.504 ' H ' ' HD2' ' C' ' 630' ' ' ARG . 65.0 t30 -173.06 5.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.677 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 630' ' ' ARG . . . . . 0.694 ' H ' ' CD ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.04 166.82 21.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.507 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 631' ' ' THR . . . . . 0.505 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.07 87.64 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 632' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' C' ' 607' ' ' MET . 16.3 tp -31.28 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.619 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.429 ' H ' ' HB3' ' C' ' 632' ' ' LEU . 84.5 tt0 -71.67 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.523 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.36 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 635' ' ' GLY . . . . . 0.431 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.72 0.18 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -127.9 164.92 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.548 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 637' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.5 mptm? -108.42 156.97 37.69 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.821 2.348 . . . . 0.0 112.138 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 639' ' ' LEU . . . . . 0.487 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.7 -16.32 10.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.502 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -75.18 -43.86 49.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -71.71 -35.96 70.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.518 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.96 75.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 4.5 t70 -60.63 -35.65 76.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 645' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.2 t -160.92 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.613 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.04 34.08 4.47 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 647' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 13.9 mm100 51.75 4.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.312 . . . . 0.0 110.525 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 648' ' ' LEU . . . . . 0.916 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 6.99 5.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.78 -12.58 11.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.53 -36.13 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.629 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 1.098 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 652' ' ' GLU . . . . . 0.824 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 85.2 tt0 -56.22 -22.54 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.528 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 653' ' ' PHE . . . . . 0.973 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.89 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 654' ' ' LEU . . . . . 1.025 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.34 6.77 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.637 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 655' ' ' LEU . . . . . 0.973 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.93 -47.86 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.588 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.27 -25.41 64.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.523 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -72.78 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 658' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.3 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 659' ' ' ALA . . . . . 0.71 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.04 33.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.559 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 660' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.0 m-20 -57.42 10.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.5 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 661' ' ' ILE . . . . . 0.71 ' H ' ' C ' ' C' ' 659' ' ' ALA . 8.4 tp -66.01 1.78 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.509 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 662' ' ' ASN . . . . . 1.086 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.61 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 663' ' ' ALA . . . . . 0.771 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.09 -33.67 0.28 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 664' ' ' PRO . . . . . 1.086 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.9 Cg_exo -46.93 120.8 4.43 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.868 2.378 . . . . 0.0 112.095 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -125.9 -50.49 1.58 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -78.78 -16.15 57.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 667' ' ' HIS . . . . . 0.462 ' N ' ' ND1' ' C' ' 667' ' ' HIS . 3.7 m80 -80.51 -6.23 57.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.586 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 40.44 37.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.602 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 669' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 670' ' ' THR . . . . . 0.407 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.0 OUTLIER -96.24 168.68 10.18 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.516 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 671' ' ' PRO . . . . . 0.473 ' O ' ' OG ' ' C' ' 674' ' ' SER . 51.3 Cg_endo -72.48 -30.48 12.32 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.785 2.323 . . . . 0.0 112.144 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.38 -49.04 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 673' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.4 tp -67.9 -27.77 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.571 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 674' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.2 p -51.81 -40.9 61.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.492 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 675' ' ' ALA . . . . . 0.417 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.59 -29.96 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 676' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 8.8 t -47.17 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 677' ' ' TYR . . . . . 0.516 ' O ' ' NZ ' ' B' ' 442' ' ' LYS . 25.3 t80 -77.9 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 678' ' ' GLU . . . . . 0.465 ' OE1' ' NZ ' ' B' ' 442' ' ' LYS . 34.2 tp10 -124.5 -28.66 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.593 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.44 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.0 m80 -71.97 -53.54 12.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 681' ' ' VAL . . . . . 0.778 ' O ' HG22 ' C' ' 684' ' ' VAL . 6.7 m 43.31 -5.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.2 m -67.41 -24.25 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.605 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.93 -48.72 6.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.551 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 684' ' ' VAL . . . . . 0.778 HG22 ' O ' ' C' ' 681' ' ' VAL . 4.2 m -41.86 -34.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 685' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' C' ' 687' ' ' LEU . 37.9 ttmt -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 24.0 mt -62.91 1.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.566 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 687' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.555 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 688' ' ' LEU . . . . . 0.475 HD12 ' O ' ' C' ' 693' ' ' ASP . 7.0 tt -45.73 -21.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 689' ' ' SER . . . . . 0.408 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.2 m -55.8 -21.56 20.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.539 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -99.65 -6.24 27.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 692' ' ' ALA . . . . . 0.585 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 90.2 m-20 33.17 -128.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.597 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 694' ' ' LYS . . . . . 0.453 ' O ' HG23 ' C' ' 695' ' ' THR . 34.1 ttpt -152.5 -23.57 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 695' ' ' THR . . . . . 0.53 ' CG2' ' OG1' ' C' ' 703' ' ' THR . 0.7 OUTLIER -156.61 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.526 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.69 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -140.13 23.54 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.659 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.8 20.37 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 699' ' ' PRO . . . . . 0.659 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 77.6 Cg_exo -44.82 -27.77 2.61 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.789 2.326 . . . . 0.0 112.15 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 700' ' ' ASP . . . . . 0.659 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 4.4 m-20 157.79 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 701' ' ' GLY . . . . . 0.582 ' O ' ' HB3' ' C' ' 705' ' ' LEU . . . -84.82 0.31 89.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 702' ' ' LEU . . . . . 0.629 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.8 -66.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 703' ' ' THR . . . . . 0.886 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 89.6 m 16.17 -95.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.521 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 704' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 705' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' C' ' 701' ' ' GLY . 2.5 tt -62.86 -75.52 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.614 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.68 15.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.67 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 708' ' ' THR . . . . . 0.541 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.1 m -139.82 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 709' ' ' ASP . . . . . 0.541 ' H ' HG22 ' C' ' 708' ' ' THR . 53.8 p-10 -148.76 -4.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -72.55 151.84 42.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.53 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.55 -20.54 62.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.16 -60.37 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 713' ' ' ILE . . . . . 0.407 HG21 HD12 ' C' ' 713' ' ' ILE . 0.0 OUTLIER -70.06 -37.64 72.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.579 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -52.09 -29.9 23.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.59 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 715' ' ' ALA . . . . . 0.567 ' O ' ' HG ' ' C' ' 716' ' ' LEU . . . -28.23 14.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 716' ' ' LEU . . . . . 0.792 ' O ' ' CB ' ' C' ' 717' ' ' LEU . 2.0 mp -161.07 98.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.62 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 717' ' ' LEU . . . . . 0.792 ' CB ' ' O ' ' C' ' 716' ' ' LEU . 1.1 tt 124.14 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 718' ' ' GLN . . . . . 0.745 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 36.4 tt0 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.596 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 8' ' ' VAL . 12.0 p -54.1 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.739 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.4 t -45.83 162.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.654 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 11' ' ' GLU . 43.3 p-10 -64.9 -33.63 76.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.621 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 96.6 mt-10 -60.47 -39.32 87.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.55 -41.03 84.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.6 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -63.62 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.7 t -65.26 -43.76 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.524 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -61.53 -39.72 92.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.733 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.461 HD12 ' CG ' ' B' ' 327' ' ' ASP . 31.4 mm -65.44 -47.37 87.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.89 75.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.55 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 97.0 mttt -65.88 -41.34 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.556 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -65.16 -44.81 87.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.66 -46.51 85.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.3 p -76.03 8.47 3.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.572 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.78 15.4 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.492 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.52 146.96 81.45 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 12.3 Cg_exo -68.21 167.56 21.68 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.352 . . . . 0.0 112.036 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -71.02 116.24 4.61 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.751 2.301 . . . . 0.0 112.101 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.14 21.45 35.5 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -149.31 37.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 110.516 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 52.6 p90 -73.95 -48.78 28.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 66.5 t30 -57.03 -57.38 12.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.618 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -44.53 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.6 t -60.82 -42.52 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.631 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 79.5 t80 -59.2 -50.85 72.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.649 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -59.99 -37.98 81.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.667 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.03 -42.08 97.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.638 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 32' ' ' VAL . 82.7 t -67.05 -41.9 87.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -56.31 -54.85 40.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.591 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.405 HD13 ' SG ' ' B' ' 308' ' ' CYS . 35.7 mt -59.3 -34.79 72.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.0 mt -73.26 -49.71 26.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.648 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.9 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.471 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 63.3 t30 46.65 49.67 13.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.531 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.471 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 69.9 m-20 -168.68 79.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -51.87 -37.94 54.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -54.16 -44.18 71.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.566 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.29 -30.82 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.631 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 35.2 tp -62.76 -38.68 91.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.1 mtp180 -66.25 -35.5 80.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.626 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -41.02 -59.79 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.87 48.63 0.92 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.13 -56.82 3.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.811 0.339 . . . . 0.0 110.586 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.73 -46.56 87.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.569 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -54.31 -37.02 64.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.571 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.33 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.584 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 32.6 m-85 -46.59 -56.57 5.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.561 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.66 -72.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 87.0 mt-30 -33.65 -45.85 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -60.03 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -47.0 -30.88 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 76.4 mtp -68.89 -66.54 0.56 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' NH1' ' A' ' 174' ' ' ARG . 98.0 m-20 -67.91 10.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 63' ' ' THR . 15.6 mm100 -124.56 24.79 7.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.6 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 77.8 m-85 23.83 44.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.0 m -58.83 111.34 3.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 63' ' ' THR . 2.7 Cg_exo -75.65 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.874 2.382 . . . . 0.0 112.219 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG22 ' N ' ' A' ' 66' ' ' LYS . 10.3 p -109.41 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.485 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.643 ' N ' HG22 ' A' ' 65' ' ' VAL . 34.9 pttt -125.16 103.96 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.605 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.665 ' O ' ' C ' ' A' ' 68' ' ' GLU . 48.0 mt -51.52 148.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.633 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.665 ' C ' ' O ' ' A' ' 67' ' ' ILE . 84.0 tt0 -13.22 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.793 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.9 m-85 -137.47 14.71 2.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.353 . . . . 0.0 110.627 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 4.7 p-10 20.2 39.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 1.074 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.2 t0 -98.78 19.41 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.576 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 87.0 mm-40 -0.22 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.489 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.074 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.92 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.559 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.725 HD12 ' C ' ' A' ' 74' ' ' VAL . 9.9 mp -113.34 152.38 30.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.471 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 95.8 mt -104.14 105.47 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.544 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 30.2 p -130.13 -176.95 4.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.59 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -78.8 -31.26 45.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.485 ' CE1' HD13 ' A' ' 155' ' ' ILE . 86.1 m-70 -64.0 -23.64 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.15 15.68 50.69 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -85.53 100.02 11.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.8 0.333 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp -49.61 -51.55 36.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.531 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.73 25.38 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.651 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.79 9.34 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.599 ' NH2' ' O ' ' A' ' 107' ' ' ASP . 29.8 mtp180 -108.35 168.7 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.519 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.535 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 53.9 m-85 -114.51 -170.62 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -118.3 157.38 27.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.703 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 18.5 t0 -139.33 89.03 12.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.561 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 23.5 Cg_exo -61.01 -36.69 81.31 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.852 2.368 . . . . 0.0 111.995 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -59.43 -75.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.448 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -76.43 -20.4 57.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.703 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 62.0 mttm 62.76 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.527 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 15.4 tt -146.5 154.43 12.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.567 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.818 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.8 t -92.65 133.02 36.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.708 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 37.7 p90 -140.11 136.61 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.55 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.7 tttt -88.62 113.38 24.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.878 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.6 t80 -82.71 133.11 35.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 31.1 t0 -104.6 90.16 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.506 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.77 ' H ' ' CD2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -36.38 -67.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.593 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 69.4 mt -47.41 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.0 tpp180 -52.75 156.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -88.88 2.35 53.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -117.27 150.22 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.878 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.64 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.5 m -95.53 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.599 ' O ' ' NH2' ' A' ' 86' ' ' ARG . 1.3 m-20 73.75 54.51 0.28 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.818 ' CA ' ' O ' ' A' ' 95' ' ' SER . 57.2 Cg_endo -73.5 -177.79 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.839 2.36 . . . . 0.0 112.069 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.815 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.2 tt0 -160.15 124.57 2.1 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.536 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -47.2 131.0 17.55 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.841 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.404 ' OE2' HD11 ' A' ' 88' ' ' LEU . 72.5 tt0 -122.91 102.52 8.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.0 p-10 -75.5 88.45 2.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.594 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.98 164.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.02 -30.07 58.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.691 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t 71.94 35.63 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.74 -59.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.11 3.34 33.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 119' ' ' GLN . 37.9 ttpt -53.98 -41.91 68.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.493 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER -39.21 -55.95 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.521 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -62.58 -47.59 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.505 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.851 HH21 ' H ' ' A' ' 145' ' ' GLY . 22.0 ttm180 -53.89 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.573 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.647 ' N ' ' HG2' ' A' ' 121' ' ' ARG . 35.4 t70 -25.44 -45.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.91 -67.25 0.45 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 6.3 t -51.1 -48.55 61.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.62 ' CG ' ' HB ' ' A' ' 143' ' ' VAL . 0.9 OUTLIER -40.47 -80.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 27.0 m -48.04 -46.15 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.449 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.28 -51.49 33.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.82 -12.23 60.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.471 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 126' ' ' SER . 13.5 tpt180 -66.39 -32.78 74.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.612 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.51 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.555 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 18.5 t80 -54.73 -38.79 67.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.568 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' C ' ' H ' ' A' ' 134' ' ' ASP . 19.2 m -74.75 -40.52 46.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.521 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.445 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 61.9 mttm -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.624 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.57 7.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.544 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.535 ' HB3' ' HE ' ' B' ' 544' ' ' ARG . 38.6 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.611 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 44.5 m-85 -114.67 106.45 52.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.55 -57.17 2.34 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.764 2.31 . . . . 0.0 112.072 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -127.55 50.06 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.82 163.64 12.64 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.546 ' CB ' HD11 ' A' ' 75' ' ' LEU . 95.0 m-85 -135.09 158.15 45.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.795 0.331 . . . . 0.0 110.628 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 2.9 p -129.54 162.25 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.546 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 24.9 m -161.38 97.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.587 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.62 ' HB ' ' CG ' ' A' ' 125' ' ' ASP . 49.3 t -75.75 143.42 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 37.2 m-85 -120.21 124.29 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.542 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.851 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.77 84.53 0.37 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -123.76 167.37 14.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.56 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 90.0 p -107.55 115.38 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.504 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' ' 148' ' ' ILE . 2.9 tt -91.16 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.623 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 46.62 54.22 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.539 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.91 -62.84 4.16 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -53.8 129.83 34.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.791 0.329 . . . . 0.0 110.661 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.735 ' H ' HG21 ' A' ' 181' ' ' ILE . 71.5 mt-30 -85.82 150.52 24.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.41 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 5.3 t -155.25 146.13 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.513 HD13 HD21 ' A' ' 117' ' ' LEU . 12.9 mm -108.48 110.06 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.443 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 77.1 mt -98.12 117.08 42.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 116.07 27.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.221 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 37.5 m -106.16 135.44 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . 0.651 HD13 ' OG ' ' A' ' 175' ' ' SER . 4.8 mp -122.76 137.71 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.188 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 14.7 tm-20 -131.3 151.96 51.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.396 . . . . 0.0 111.008 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.94 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 16.6 p-80 -140.71 170.61 15.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.961 0.41 . . . . 0.0 110.918 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.0 mm-40 -148.62 77.77 1.39 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.237 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -65.35 147.44 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.014 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.462 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.2 tm0? -167.96 66.05 0.73 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.31 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.8 Cg_endo -60.72 -52.13 4.11 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.786 2.324 . . . . 0.0 112.109 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -43.83 -8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.418 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 8.5 m120 -121.89 -10.49 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.819 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 47.0 m-85 70.12 80.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.529 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.819 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.6 p-90 158.77 127.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.0 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.348 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.84 163.14 29.04 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.75 136.64 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.335 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' TRP . . . . . 0.733 ' N ' ' O ' ' A' ' 160' ' ' SER . 7.1 t-105 -107.55 138.89 42.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.868 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.452 ' HB2' ' CB ' ' A' ' 193' ' ' LYS . 53.3 mtp180 -125.36 152.3 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.21 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.651 ' OG ' HD13 ' A' ' 158' ' ' ILE . 0.0 OUTLIER -166.31 111.08 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.913 0.387 . . . . 0.0 111.025 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.635 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 85.4 tt0 -116.39 124.69 50.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.124 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 44.9 m95 -120.59 116.94 26.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.913 -179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -98.58 119.83 37.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.412 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.722 ' O ' ' HA ' ' A' ' 153' ' ' THR . 3.0 t80 -117.46 88.58 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.743 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.678 ' O ' ' O ' ' A' ' 179' ' ' PHE . 2.9 t -50.05 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.642 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 182' ' ' THR . 0.0 OUTLIER -164.31 151.33 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.687 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.928 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.76 61.41 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.472 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 1.07 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 83.9 Cg_exo -34.36 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.434 2.756 . . . . 0.0 112.688 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . 0.928 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.8 Cg_endo -79.87 -4.35 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.876 2.384 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . 1.055 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.6 OUTLIER 159.36 -18.62 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.24 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.156 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.8 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.942 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 1.063 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.3 mt-30 -106.75 -115.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.223 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.774 ' CG1' ' N ' ' A' ' 189' ' ' ALA . 1.5 t 145.66 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.774 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.37 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.78 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.535 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 192' ' ' LEU . 6.7 mp -85.6 157.86 20.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.621 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . 0.452 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 30.5 mttt -150.32 147.83 28.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . 0.768 HD13 ' N ' ' A' ' 195' ' ' GLN . 0.3 OUTLIER -149.49 134.06 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.306 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.768 ' N ' HD13 ' A' ' 194' ' ' ILE . 89.0 mt-30 -142.37 130.28 21.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.911 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.703 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 2.9 t -132.7 136.61 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.169 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . 0.77 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 8.9 t-80 -126.5 141.56 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.945 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' TYR . . . . . 0.604 ' O ' ' CD2' ' A' ' 198' ' ' TYR . 61.4 t80 -145.54 87.16 1.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.286 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.5 t80 -100.1 87.8 3.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' GLU . . . . . 0.799 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 61.7 tt0 -129.46 52.14 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.32 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . 0.799 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 59.5 t0 114.87 2.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.407 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.66 -129.11 1.08 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -172.85 99.69 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.575 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.05 129.13 71.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.554 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' GLN . . . . . 0.703 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.6 tt0 -136.73 154.12 50.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.505 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.529 HD22 ' OH ' ' A' ' 247' ' ' TYR . 12.7 tp -122.24 87.22 2.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.709 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . 0.453 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 13.5 t -90.06 122.22 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.383 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . 0.432 ' HB2' HG22 ' A' ' 194' ' ' ILE . 0.7 OUTLIER -149.56 147.19 27.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.807 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . 0.528 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 33.5 p80 -157.82 145.11 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.216 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -135.45 129.04 32.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 44.1 p-10 -103.56 129.85 50.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.19 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.9 37.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -150.2 102.65 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' ASP . . . . . 0.619 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.1 t0 -118.88 166.06 13.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 1.063 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 21.6 p -117.8 103.42 9.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.428 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' VAL . . . . . 1.156 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 88.9 t -91.95 165.98 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . 1.055 ' HA ' ' O ' ' A' ' 185' ' ' THR . 79.7 mt-30 -102.64 128.06 49.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.567 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 1.07 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 76.6 t -85.98 137.48 20.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.628 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.5 t -131.04 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.55 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 224' ' ' THR . 3.0 t -100.23 -163.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.571 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' ASP . . . . . 0.464 ' O ' HG22 ' A' ' 224' ' ' THR . 45.1 t0 -86.85 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.564 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.11 -24.67 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -74.01 -56.74 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.521 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 221' ' ' ASP . 15.2 t -54.66 -36.88 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' ALA . . . . . 0.466 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.58 -57.11 14.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.447 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -57.1 -30.47 64.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.62 -38.76 84.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.481 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.503 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 4.9 t80 -67.72 -53.91 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.414 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.3 mm -52.17 -27.35 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.366 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -74.85 -36.74 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' ILE . . . . . 0.5 HG13 HG21 ' A' ' 216' ' ' VAL . 35.9 mm -67.51 -41.19 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.443 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' ILE . . . . . 0.48 HG12 ' CD2' ' A' ' 177' ' ' TRP . 43.1 mt -70.07 -44.51 78.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.397 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -57.08 -46.97 82.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.513 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -69.68 -43.88 71.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.94 61.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.42 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' GLU . . . . . 0.565 ' CG ' ' NH1' ' B' ' 544' ' ' ARG . 15.9 tp10 -60.17 -44.1 95.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.03 -40.24 88.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.74 -34.33 73.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.558 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.42 -44.48 74.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.511 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.17 -38.98 82.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 78.0 m -61.48 -45.74 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.5 -30.69 71.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.55 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.17 -47.59 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.63 -34.22 73.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.606 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.9 -42.92 84.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.09 -34.66 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 247' ' ' TYR . . . . . 0.549 ' O ' ' OG ' ' A' ' 251' ' ' SER . 3.4 m-85 -64.91 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.583 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . 0.555 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 78.0 mt-30 -73.23 -50.86 20.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . 0.543 ' O ' ' HB ' ' A' ' 253' ' ' THR . 81.5 p -64.75 -34.84 79.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 46.3 mtt -72.92 -14.46 61.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.501 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . 0.64 ' OG ' ' HB3' ' B' ' 533' ' ' PHE . 1.1 m -113.0 -10.07 13.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.568 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 252' ' ' ASP . . . . . 0.786 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 3.0 p30 -132.1 47.72 2.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 8.4 m 175.73 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.534 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . 0.514 ' OG1' ' CD1' ' B' ' 444' ' ' ILE . 9.2 m -53.52 -61.17 2.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 255' ' ' PHE . . . . . 0.539 ' CE1' ' OD1' ' B' ' 529' ' ' ASN . 3.4 t80 -47.74 -57.52 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.58 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . 0.723 ' NZ ' ' NE ' ' C' ' 636' ' ' ARG . 6.9 ptmm? -64.17 -11.83 34.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.585 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.21 -18.2 30.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.591 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 259' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.61 174.45 6.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 260' ' ' ARG . . . . . 0.525 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 0.7 OUTLIER -109.16 153.19 24.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.566 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -83.72 -11.21 57.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.477 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.61 133.27 3.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.523 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 263' ' ' PRO . . . . . 0.724 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.91 135.4 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.915 2.41 . . . . 0.0 112.056 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 264' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 265' ' ' THR . 4.4 m -37.75 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 265' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 265' ' ' THR . 82.2 m -64.18 -5.42 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 266' ' ' ARG . . . . . 0.681 ' N ' ' O ' ' A' ' 263' ' ' PRO . 20.8 mmm180 54.13 55.59 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.497 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 267' ' ' THR . . . . . 0.638 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.7 m 173.27 114.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.423 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.638 ' C ' ' O ' ' A' ' 267' ' ' THR . 68.7 mttm -16.71 131.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.628 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 269' ' ' ILE . . . . . . . . . . . . . 2.2 pt -50.34 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.805 ' O ' ' N ' ' A' ' 273' ' ' LYS . 1.0 OUTLIER -117.12 58.57 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 271' ' ' TRP . . . . . 0.626 ' CE2' ' HA3' ' B' ' 514' ' ' GLY . 77.5 m95 -21.52 -55.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.608 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . 0.728 ' H ' HD22 ' A' ' 272' ' ' ASN . 1.9 m-80 -44.66 -25.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . 1.249 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 2.5 mptm? -100.0 -7.66 24.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.615 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 274' ' ' ILE . . . . . 0.585 ' N ' ' O ' ' A' ' 271' ' ' TRP . 18.4 mm -103.2 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . 0.722 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.521 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . 1.314 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.3 t 141.95 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.578 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 1.249 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.7 t80 -30.92 43.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 278' ' ' LYS . . . . . 1.314 ' N ' ' O ' ' A' ' 276' ' ' SER . 36.2 tptt -107.66 80.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.631 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.8 mt 54.22 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.561 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.65 -135.17 0.0 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.037 -0.983 . . . . 0.0 110.523 -179.848 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 302' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 44.1 t . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -42.8 -51.18 5.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -55.32 -34.16 63.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.464 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.478 ' HB2' ' O ' ' B' ' 302' ' ' SER . 24.1 mt-30 -60.74 -49.03 79.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.471 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.26 -40.63 78.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -64.94 -40.84 95.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.353 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 308' ' ' CYS . . . . . 0.405 ' SG ' HD13 ' A' ' 38' ' ' LEU . 84.4 m -68.07 -37.21 80.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.358 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.708 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.22 -42.09 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.397 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.31 -38.45 84.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.385 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -68.28 -33.66 74.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 63.2 tp -68.83 -43.7 74.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.343 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' B' ' 313' ' ' MET . 0.0 OUTLIER -64.42 -25.55 68.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.434 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -82.35 -12.31 58.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.43 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 315' ' ' ARG . . . . . 0.541 HH11 ' HG2' ' B' ' 315' ' ' ARG . 66.5 mtt-85 -100.06 -46.88 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.518 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.4 mt -63.59 147.7 95.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.65 128.45 21.12 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.768 2.312 . . . . 0.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 318' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -71.48 -4.05 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.854 2.369 . . . . 0.0 112.06 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -80.53 -17.8 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -123.94 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.535 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' ILE . . . . . . . . . . . . . 63.4 mt -63.4 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.541 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.76 -60.77 3.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.534 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -54.66 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.512 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -54.69 -55.76 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.468 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.469 HD12 HG11 ' B' ' 343' ' ' VAL . 4.2 tt -47.14 -48.9 23.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.17 -49.68 75.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.37 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . 0.461 ' CG ' HD12 ' A' ' 16' ' ' ILE . 54.5 m-20 -62.39 -40.73 97.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.426 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' LEU . . . . . 0.708 HD21 ' HB1' ' B' ' 309' ' ' ALA . 55.9 tp -55.56 -40.99 72.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.498 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.48 -41.23 90.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.398 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -57.74 -37.96 74.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.24 -29.06 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.441 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.55 84.6 9.05 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.456 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.07 -5.59 15.09 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.752 2.301 . . . . 0.0 112.046 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 63.9 m -89.3 -6.46 56.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.594 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.458 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 73.0 mt -119.03 20.84 12.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.2 p -64.04 -55.95 18.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.543 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.564 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 97.6 mt-10 -60.35 -50.4 73.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.535 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.75 -36.13 73.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.518 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 67.9 mt -79.11 -28.62 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.9 mt -81.44 12.36 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.602 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 56.3 p -144.09 -3.67 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.583 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.7 t -119.41 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' VAL . . . . . 0.469 HG11 HD12 ' B' ' 325' ' ' LEU . 81.5 t -105.86 120.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.484 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -87.86 128.64 35.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.23 165.94 28.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.563 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.45 125.31 5.91 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.817 2.345 . . . . 0.0 112.118 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' LEU . . . . . 0.476 HD21 HD11 ' B' ' 451' ' ' ILE . 95.9 mt -66.71 122.5 17.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -88.65 148.8 23.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.418 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.9 tt -102.95 136.34 35.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' ALA . . . . . 0.731 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.475 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -114.34 143.35 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.627 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.968 ' O ' ' N ' ' B' ' 356' ' ' GLY . 62.5 t0 -111.9 81.42 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.7 mttt -37.21 -63.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 66.3 t -39.49 -52.68 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.1 t -92.97 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.968 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.71 70.47 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.12 154.89 28.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.574 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' ASP . . . . . 0.731 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 91.6 m-20 -94.68 143.08 26.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.611 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 39.3 p90 -139.7 135.74 33.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 84.9 mt -69.25 156.63 38.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 1.038 HD23 ' H ' ' B' ' 362' ' ' CYS . 0.6 OUTLIER -108.57 158.56 17.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.582 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 362' ' ' CYS . . . . . 1.038 ' H ' HD23 ' B' ' 361' ' ' LEU . 29.5 p -168.23 168.62 11.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.573 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.4 p-10 -75.44 -10.29 59.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.648 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 364' ' ' TYR . . . . . 0.479 ' HB2' HG11 ' B' ' 431' ' ' VAL . 99.3 m-85 -88.38 -18.23 28.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.463 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 365' ' ' ASN . . . . . 0.765 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 38.3 p-10 -123.16 24.74 8.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.602 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -119.99 129.93 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.502 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -122.22 99.53 6.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.08 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.3 8.75 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.543 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 370' ' ' SER . . . . . 1.101 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.35 161.36 23.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.388 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 371' ' ' TYR . . . . . 1.101 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.0 OUTLIER -118.32 150.78 38.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.557 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . 0.596 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 11.9 ttm180 -98.76 124.75 43.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.6 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 373' ' ' SER . . . . . 0.589 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 10.5 t -79.65 133.81 58.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.77 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.89 -14.8 19.16 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.88 2.387 . . . . 0.0 112.216 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 375' ' ' TRP . . . . . 0.406 ' HE1' ' HB3' ' B' ' 359' ' ' TYR . 52.4 m95 -85.9 -66.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 77.8 p -83.14 -18.61 38.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 377' ' ' ASN . . . . . 0.589 ' HA ' ' O ' ' B' ' 373' ' ' SER . 53.3 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -141.6 137.9 32.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 379' ' ' TYR . . . . . 1.101 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 32.6 m-85 -65.7 140.42 58.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.622 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . 0.75 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.97 -60.4 6.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.396 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 1.101 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.2 Cg_exo -65.43 119.97 7.09 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.54 79.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.98 2.453 . . . . 0.0 112.239 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.54 177.55 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.465 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.584 ' H ' HD23 ' B' ' 383' ' ' LEU . 98.5 mt-10 -111.64 -72.16 0.73 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.605 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -116.99 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.576 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.15 151.74 47.49 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 387' ' ' ALA . . . . . 0.505 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.96 127.27 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.628 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 6.3 ptp -132.31 148.52 70.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.87 150.75 49.96 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.797 2.331 . . . . 0.0 112.18 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.2 m -52.76 142.96 17.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.61 -43.79 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.52 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -67.91 -37.81 82.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 3.9 mm? -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -55.35 -36.79 66.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.41 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -63.53 -46.59 85.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 43.7 tp -64.33 -32.03 73.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.319 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -67.79 -38.08 82.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.02 -40.28 88.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.428 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.78 -36.97 78.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.332 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.12 -41.92 94.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.411 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' B' ' 401' ' ' ASN . 55.7 t-20 -63.94 -39.05 93.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.345 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.08 -40.36 68.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.444 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.04 78.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.361 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.25 -29.28 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.453 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 405' ' ' ASP . 65.4 t0 -54.61 -38.86 67.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -77.06 -32.9 57.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -69.78 -18.63 63.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 408' ' ' ARG . . . . . 0.55 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 9.7 ptt180 -83.79 -35.51 24.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 409' ' ' ASP . . . . . 0.481 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 95.6 m-20 -85.14 -8.93 58.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.595 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 410' ' ' LEU . . . . . 0.681 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 52.0 mt -95.84 -17.96 20.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 411' ' ' TYR . . . . . 0.724 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.86 -38.06 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.571 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.552 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 68.4 m-85 -100.6 -25.95 13.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.516 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 413' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.0 mt-10 63.55 24.32 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.59 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.75 -154.46 25.42 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.37 -163.44 52.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 19.5 t -128.71 153.72 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.742 0.306 . . . . 0.0 110.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 38.4 t -143.6 148.48 35.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 23.3 m -148.21 143.95 27.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.88 130.24 58.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.715 ' C ' HD12 ' B' ' 421' ' ' LEU . 60.7 m-85 -128.4 132.42 48.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.715 HD12 ' C ' ' B' ' 420' ' ' TYR . 11.2 mp -119.66 158.43 26.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.708 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 422' ' ' TRP . . . . . 0.928 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.7 p-90 -154.51 110.55 3.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.518 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -43.03 159.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.64 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 424' ' ' LEU . . . . . 0.466 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.0 tp -127.85 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . 0.466 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 68.0 t0 -87.32 -49.84 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -129.8 30.71 4.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.515 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.65 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.53 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . 0.928 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -124.01 172.87 8.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.548 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.15 161.67 35.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.08 126.41 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.508 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.5 mp -103.32 113.64 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.604 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' B' ' 450' ' ' SER . 47.9 mt -102.88 143.19 32.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.551 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 434' ' ' ILE . . . . . 0.478 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.68 119.88 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.609 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -122.57 127.51 49.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.628 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 436' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.14 119.59 15.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.571 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.21 40.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.627 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.15 179.48 45.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.68 128.07 19.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.879 0.371 . . . . 0.0 110.522 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.83 75.75 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 89.0 p -110.42 -4.27 15.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.313 . . . . 0.0 110.55 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.532 ' HZ2' ' HB3' ' C' ' 644' ' ' ASP . 55.1 mmtt -89.14 153.91 20.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -56.91 -43.8 81.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 444' ' ' ILE . . . . . 0.645 HG22 ' OG1' ' B' ' 479' ' ' THR . 9.5 pt -95.15 135.95 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.717 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -105.77 154.71 20.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.74 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 76.5 m -149.47 130.65 14.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.362 . . . . 0.0 110.207 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 448' ' ' TRP . . . . . 0.539 ' CZ2' HG21 ' B' ' 473' ' ' VAL . 6.4 t-105 -114.81 116.23 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 449' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 4.6 m-20 -109.47 127.24 54.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.234 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 450' ' ' SER . . . . . 0.478 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.94 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.945 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 451' ' ' ILE . . . . . 0.476 HD11 HD21 ' B' ' 347' ' ' LEU . 45.4 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.254 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.2 m-70 -108.67 132.41 53.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 0.0 110.82 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 78.0 t -128.71 95.67 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.22 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 454' ' ' VAL . . . . . 0.424 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.9 p -96.7 153.59 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 455' ' ' GLU . . . . . 0.424 ' N ' HG22 ' B' ' 454' ' ' VAL . 95.6 mt-10 -131.82 102.25 5.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.338 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 456' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' B' ' 467' ' ' TYR . 63.3 t -79.08 139.64 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -123.52 68.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.447 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 458' ' ' GLU . . . . . 0.475 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 82.4 tt0 -40.28 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.632 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 459' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' B' ' 464' ' ' THR . 88.3 tttt -109.35 142.01 40.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.04 -54.09 17.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.77 146.52 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 462' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.36 -12.75 47.88 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 69.4 mtm-85 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.784 0.326 . . . . 0.0 110.605 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.526 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.8 t -82.28 123.64 29.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 465' ' ' ALA . . . . . 0.475 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.71 151.86 32.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -92.96 126.57 38.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.348 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 467' ' ' TYR . . . . . 0.41 ' CE2' HG22 ' B' ' 456' ' ' VAL . 88.5 m-85 -103.14 139.49 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.982 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.89 86.12 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.147 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 469' ' ' LEU . . . . . 0.778 HD12 ' H ' ' B' ' 470' ' ' THR . 29.4 tp -82.13 157.56 24.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 470' ' ' THR . . . . . 0.778 ' H ' HD12 ' B' ' 469' ' ' LEU . 80.7 m -157.84 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.105 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 64.6 p -64.63 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.092 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 472' ' ' THR . . . . . 0.467 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.73 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.143 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 473' ' ' VAL . . . . . 0.539 HG21 ' CZ2' ' B' ' 448' ' ' TRP . 7.7 p -69.74 143.79 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 474' ' ' MET . . . . . 0.535 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.6 ttt -124.78 96.01 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.166 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 475' ' ' LEU . . . . . 0.617 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.1 tp -86.64 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.27 130.31 51.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 29.4 mt -137.43 124.67 21.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.743 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.19 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.469 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 479' ' ' THR . . . . . 0.645 ' OG1' HG22 ' B' ' 444' ' ' ILE . 72.8 m -163.44 127.46 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.642 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 480' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.15 73.81 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttm -107.61 146.68 31.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 53.0 p -57.28 -46.03 83.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.541 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 483' ' ' GLY . . . . . 0.474 ' H ' ' HG2' ' B' ' 481' ' ' LYS . . . -63.55 -25.33 68.66 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . 0.446 ' O ' ' N ' ' B' ' 486' ' ' THR . 34.7 p -125.88 14.83 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.952 0.406 . . . . 0.0 110.607 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.59 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 486' ' ' THR . . . . . 0.528 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 12.6 p -125.97 113.97 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.499 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 22.8 ttp -125.09 118.07 25.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 488' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -118.98 123.98 45.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.636 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 489' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.8 tp -131.66 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.604 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.87 21.78 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 491' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.67 11.08 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 492' ' ' SER . . . . . 0.718 ' C ' HD22 ' B' ' 493' ' ' LEU . 24.7 t 163.27 135.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.491 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 493' ' ' LEU . . . . . 0.718 HD22 ' C ' ' B' ' 492' ' ' SER . 4.1 mm? -110.59 149.45 30.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 494' ' ' THR . . . . . 0.431 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 56.6 m -127.09 142.84 51.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -149.91 128.69 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.701 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 496' ' ' GLN . . . . . 0.609 ' N ' ' NE2' ' B' ' 496' ' ' GLN . 1.4 mp0 -92.82 160.59 14.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 27.3 ttt -160.09 130.44 5.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 498' ' ' GLU . . . . . 0.492 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.6 pm0 -133.53 141.61 47.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -172.21 145.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.1 p-10 -91.31 125.23 36.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -120.66 160.18 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.662 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.26 131.82 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.62 122.42 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.699 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 92.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.574 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.94 -35.87 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.523 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 506' ' ' SER . . . . . 0.436 ' O ' ' OD1' ' A' ' 272' ' ' ASN . 78.1 p -83.63 -19.81 34.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.568 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 18.3 t -135.51 73.45 62.38 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.586 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 508' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.2 Cg_exo -72.54 -172.6 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.8 2.333 . . . . 0.0 112.171 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -58.77 -62.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 67.4 mt -42.77 -48.96 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.611 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 511' ' ' ALA . . . . . 0.476 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -55.03 -49.24 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.585 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -62.97 -48.17 80.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.615 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.06 -33.63 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.599 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 514' ' ' GLY . . . . . 0.626 ' HA3' ' CE2' ' A' ' 271' ' ' TRP . . . -66.71 -46.54 74.6 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -57.38 -44.36 84.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.692 0.282 . . . . 0.0 110.675 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.24 -52.46 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.543 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 55.1 t -55.45 -47.24 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.621 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -57.87 -51.72 68.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 519' ' ' ASP . . . . . 0.423 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.4 t0 -63.56 -37.43 87.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.739 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.6 tpp -64.44 -49.38 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.717 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 521' ' ' GLU . . . . . 0.469 ' O ' HG22 ' B' ' 524' ' ' ILE . 5.4 tp10 -62.61 -45.29 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.705 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 522' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 28.5 t-20 -56.88 -41.44 78.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.58 -38.52 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.742 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 524' ' ' ILE . . . . . 0.481 ' O ' HD23 ' B' ' 528' ' ' LEU . 2.4 tp -74.35 -24.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 525' ' ' ARG . . . . . 0.649 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.63 66.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.702 -179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 526' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.0 t -85.02 -38.77 18.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.694 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 11.8 m -66.0 -35.77 81.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.749 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 3.0 mm? -65.01 -42.31 94.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . 0.559 ' ND2' ' O ' ' B' ' 525' ' ' ARG . 54.6 m-20 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.645 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.38 -54.47 7.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.39 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 532' ' ' TYR . . . . . 0.749 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 6.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 533' ' ' PHE . . . . . 0.64 ' HB3' ' OG ' ' A' ' 251' ' ' SER . 0.2 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.561 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.08 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' B' ' 536' ' ' THR . 8.7 ttmm -56.93 -68.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.765 0.317 . . . . 0.0 110.532 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.461 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.6 m -34.73 -58.04 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.582 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -50.37 -53.26 30.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.597 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -53.21 -44.93 68.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.535 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 539' ' ' ILE . . . . . 0.598 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 35.2 mm -61.77 -36.06 71.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.42 -42.0 92.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.67 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.71 -17.23 63.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.39 -27.4 48.28 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.6 mt -68.07 -51.46 46.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.747 0.308 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 544' ' ' ARG . . . . . 0.762 ' HG2' ' H ' ' B' ' 545' ' ' SER . 24.4 ttt180 -141.8 170.09 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.697 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 545' ' ' SER . . . . . 0.762 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 11.2 t -142.2 137.87 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 546' ' ' ILE . . . . . 0.418 HG13 ' N ' ' B' ' 547' ' ' ASP . 9.6 pt -69.05 -43.49 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.553 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 547' ' ' ASP . . . . . 0.446 ' OD1' ' O ' ' B' ' 547' ' ' ASP . 50.6 p-10 -82.88 138.59 33.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.647 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.06 8.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.566 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.558 ' O ' ' N ' ' B' ' 551' ' ' ASP . 18.8 mt -79.44 112.67 30.54 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.578 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.4 Cg_exo -46.48 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.897 2.398 . . . . 0.0 112.077 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.573 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.28 145.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.63 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 552' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 31.5 p30 -129.88 116.19 18.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.29 -24.8 27.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.651 ' HG3' ' H ' ' B' ' 555' ' ' TYR . 12.9 ptmt -52.56 -64.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.613 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 555' ' ' TYR . . . . . 0.651 ' H ' ' HG3' ' B' ' 554' ' ' LYS . 91.4 t80 -45.16 -56.67 4.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -57.53 -46.91 83.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -65.88 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 58.6 tp -77.8 -30.31 51.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -73.58 -36.39 65.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -58.15 -40.55 81.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 561' ' ' GLU . . . . . 0.593 ' O ' HG23 ' B' ' 565' ' ' VAL . 11.9 tm-20 -67.79 -61.77 1.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.721 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.887 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 51.9 tp -49.04 -40.67 32.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.675 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 66.4 m -61.22 -76.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 563' ' ' SER . 99.3 mm-40 -36.78 -13.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.709 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.887 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.5 t -72.14 -42.71 67.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.579 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 563' ' ' SER . 53.5 mt -81.47 -35.6 30.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.56 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.6 p -70.23 -19.6 63.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.565 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -117.58 6.66 12.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.691 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.942 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 1.0 OUTLIER -160.94 -141.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.573 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.942 ' HB3' ' O ' ' B' ' 569' ' ' ARG . 0.0 OUTLIER 139.74 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.631 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 571' ' ' ILE . . . . . 0.815 HG22 ' O ' ' B' ' 570' ' ' GLN . 3.1 tp . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 601' ' ' MET . . . . . 0.503 ' SD ' ' N ' ' C' ' 601' ' ' MET . 4.8 mpp? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.98 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 603' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' C' ' 604' ' ' LYS . 36.2 p-10 -49.76 -37.87 31.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.479 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 604' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' C' ' 603' ' ' ASP . 97.9 mttt -69.73 -52.17 27.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -55.08 -28.95 56.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.529 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -75.68 -53.63 8.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.538 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 607' ' ' MET . . . . . 0.516 ' HG2' HD11 ' C' ' 632' ' ' LEU . 9.5 mtt -72.74 -36.83 67.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -56.82 -15.97 5.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 609' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.65 13.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.598 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 610' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' C' ' 610' ' ' LEU . 4.0 mt -66.23 1.97 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.608 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 611' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' C' ' 609' ' ' ALA . 87.8 tttt -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.501 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -70.35 -4.24 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.605 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 613' ' ' GLY . . . . . 0.591 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.0 21.87 58.49 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 614' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' C' ' 616' ' ' ASP . 7.4 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.515 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 615' ' ' LEU . . . . . 0.957 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.7 tm? -45.0 -17.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 616' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.9 m-20 -77.68 -27.54 50.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.601 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 617' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 614' ' ' ASP . 54.7 mm-40 -81.44 -49.91 10.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.599 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 618' ' ' VAL . . . . . 0.527 ' CG1' HD22 ' C' ' 615' ' ' LEU . 7.8 p -62.85 -28.35 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.581 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 619' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 54.4 tttp -66.2 -21.86 66.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.54 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 620' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.2 t0 -75.38 -45.39 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 621' ' ' TYR . . . . . 0.508 ' CE2' ' OD2' ' C' ' 627' ' ' ASP . 53.1 t80 -60.98 -59.17 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.77 -27.83 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.561 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 623' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.73 -16.76 7.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.562 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.78 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 625' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.89 82.35 0.1 OUTLIER Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 626' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' C' ' 625' ' ' GLY . 5.1 pt-20 34.24 95.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.59 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 627' ' ' ASP . . . . . 0.508 ' OD2' ' CE2' ' C' ' 621' ' ' TYR . 45.7 p30 -141.02 62.76 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 628' ' ' VAL . . . . . 0.773 ' O ' HG23 ' C' ' 628' ' ' VAL . 20.1 m -122.0 76.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.556 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -173.04 5.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.633 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 630' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' C' ' 630' ' ' ARG . 80.0 mtt-85 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 631' ' ' THR . . . . . 0.498 ' O ' ' C ' ' C' ' 632' ' ' LEU . 68.2 p -82.08 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.624 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 632' ' ' LEU . . . . . 0.516 HD11 ' HG2' ' C' ' 607' ' ' MET . 15.3 tp -31.3 -88.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.413 ' OE2' ' OH ' ' C' ' 641' ' ' TYR . 95.8 mt-10 -71.69 -76.84 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 634' ' ' GLY . . . . . 0.402 ' H ' HH11 ' A' ' 260' ' ' ARG . . . -153.65 -11.39 0.07 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 635' ' ' GLY . . . . . 0.528 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 636' ' ' ARG . . . . . 0.723 ' NE ' ' NZ ' ' A' ' 256' ' ' LYS . 19.0 ttm180 -127.88 164.95 21.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.519 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 637' ' ' LYS . . . . . 0.522 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.45 157.01 37.64 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.56 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.66 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.862 2.374 . . . . 0.0 112.148 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 639' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.73 -16.31 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 640' ' ' HIS . . . . . 0.549 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 33.4 t-80 -75.21 -43.88 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 641' ' ' TYR . . . . . 0.622 ' CE2' ' NH1' ' C' ' 636' ' ' ARG . 25.6 m-85 -71.7 -36.0 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.483 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 642' ' ' ALA . . . . . 0.669 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -45.01 75.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.46 62.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 644' ' ' ASP . . . . . 0.549 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 75.3 m-20 -60.6 -35.67 76.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.532 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 645' ' ' CYS . . . . . 0.48 ' SG ' ' NZ ' ' B' ' 442' ' ' LYS . 2.2 p -160.91 65.32 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.594 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 646' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.05 34.1 4.46 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 647' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.9 mt-30 51.68 4.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.696 0.284 . . . . 0.0 110.497 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 648' ' ' LEU . . . . . 0.965 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 6.97 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.587 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -115.72 -12.6 11.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.55 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.582 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 1.074 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.27 -52.96 61.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 652' ' ' GLU . . . . . 0.747 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 66.9 mm-40 -56.2 -22.62 30.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.5 OUTLIER -75.87 -97.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 654' ' ' LEU . . . . . 1.018 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -41.43 6.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.601 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 15.5 tp -102.91 -47.94 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.549 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 54.5 tp -59.27 -25.38 64.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.551 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -72.75 -90.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.548 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 658' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.28 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 659' ' ' ALA . . . . . 0.693 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.506 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 660' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.44 10.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 661' ' ' ILE . . . . . 0.693 ' H ' ' C ' ' C' ' 659' ' ' ALA . 3.1 tp -66.02 1.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 662' ' ' ASN . . . . . 1.112 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.9 p30 -163.65 -18.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 663' ' ' ALA . . . . . 0.77 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.18 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 664' ' ' PRO . . . . . 1.112 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.2 Cg_exo -46.95 120.83 4.47 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.902 2.402 . . . . 0.0 112.106 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 665' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 26.9 p-10 -125.93 -50.44 1.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.525 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 666' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 32.9 ttmt -78.89 -16.11 57.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 667' ' ' HIS . . . . . 0.528 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.2 m80 -80.49 -6.25 57.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 669' ' ' ILE . . . . . 0.491 HG22 ' O ' ' C' ' 667' ' ' HIS . 16.1 tt -176.91 147.62 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.494 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 670' ' ' THR . . . . . 0.416 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.71 10.14 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.491 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 671' ' ' PRO . . . . . 0.487 ' O ' ' OG ' ' C' ' 674' ' ' SER . 53.2 Cg_endo -72.52 -30.49 12.18 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.82 2.346 . . . . 0.0 112.11 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.742 HD23 ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.32 -49.11 13.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.517 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 673' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 5.2 mp -67.88 -27.79 66.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.529 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 674' ' ' SER . . . . . 0.614 ' HA ' ' CE2' ' C' ' 677' ' ' TYR . 17.7 p -51.77 -40.9 61.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 675' ' ' ALA . . . . . 0.414 ' HB3' HG12 ' C' ' 684' ' ' VAL . . . -74.55 -30.04 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.595 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 676' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.8 t -47.13 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 677' ' ' TYR . . . . . 0.614 ' CE2' ' HA ' ' C' ' 674' ' ' SER . 33.7 p90 -77.89 39.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -124.56 -28.64 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.23 -11.35 72.34 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 5.9 m-70 -71.9 -53.56 12.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 681' ' ' VAL . . . . . 0.722 ' O ' HG22 ' C' ' 684' ' ' VAL . 1.4 t 43.28 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.626 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.38 -24.31 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.562 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 684' ' ' VAL . . . . . 0.722 HG22 ' O ' ' C' ' 681' ' ' VAL . 2.3 m -41.89 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 685' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' C' ' 687' ' ' LEU . 53.9 tttp -62.55 -73.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.85 1.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.58 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 687' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' C' ' 661' ' ' ILE . 24.0 tp -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.553 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.62 -21.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.3 m -55.71 -21.6 19.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -99.64 -6.24 27.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 691' ' ' GLY . . . . . 1.076 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.76 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 692' ' ' ALA . . . . . 0.552 ' HB2' HG12 ' C' ' 661' ' ' ILE . . . 24.2 18.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 110.582 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 693' ' ' ASP . . . . . 1.076 ' N ' ' O ' ' C' ' 691' ' ' GLY . 44.2 t0 33.16 -128.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.581 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 694' ' ' LYS . . . . . 0.531 ' HG3' HG22 ' C' ' 695' ' ' THR . 62.6 pttt -152.56 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.542 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 695' ' ' THR . . . . . 0.663 ' O ' HG23 ' C' ' 695' ' ' THR . 8.2 t -156.57 73.48 0.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.555 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 7.7 p -93.41 -29.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -140.12 23.6 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.7 142.74 20.32 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 699' ' ' PRO . . . . . 0.644 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.76 -27.74 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.813 2.342 . . . . 0.0 112.184 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 700' ' ' ASP . . . . . 0.644 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 3.8 m-20 157.73 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.588 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 701' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' C' ' 705' ' ' LEU . . . -84.85 0.39 89.13 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 702' ' ' LEU . . . . . 0.636 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.7 tt -53.81 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.613 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 703' ' ' THR . . . . . 0.869 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 14.5 p 16.23 -95.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 704' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.63 -18.63 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.553 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 705' ' ' LEU . . . . . 0.597 ' HB3' ' O ' ' C' ' 701' ' ' GLY . 2.7 tt -62.88 -75.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.609 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -80.8 15.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.51 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . 0.869 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 54.9 p -139.79 -142.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.565 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 45.8 p30 -148.86 -4.46 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -72.61 151.82 42.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -71.51 -20.52 62.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.593 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.19 -60.39 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.672 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 8.5 mt -70.01 -37.7 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -52.07 -29.89 23.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.609 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.26 14.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 716' ' ' LEU . . . . . 0.827 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 717' ' ' LEU . . . . . 0.827 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 0.8 OUTLIER 124.15 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 718' ' ' GLN . . . . . 0.72 ' H ' ' HG ' ' C' ' 717' ' ' LEU . 4.9 tp-100 . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.594 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 7' ' ' ARG . 74.3 mtt-85 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.07 94.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.782 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.9 p -45.93 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 14' ' ' VAL . 98.9 m-20 -64.98 -33.59 76.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.57 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.47 -39.33 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -67.57 -40.95 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.634 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -63.69 -35.9 82.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.2 t -65.22 -43.81 95.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -61.52 -39.74 92.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.5 mt -65.44 -47.36 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.95 75.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.567 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.56 75.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.651 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.97 -41.34 91.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.516 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -65.14 -44.86 87.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.678 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.66 -46.46 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.606 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.0 p -75.99 8.4 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.71 15.33 9.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.96 81.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.512 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.534 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.21 167.48 21.9 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.844 2.363 . . . . 0.0 112.037 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 47.2 Cg_endo -70.87 116.15 4.55 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.785 2.323 . . . . 0.0 112.153 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.17 21.44 35.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.537 ' OE1' ' NH1' ' B' ' 315' ' ' ARG . 42.6 mt-10 -149.27 37.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.549 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -73.99 -48.76 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -57.04 -57.44 12.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.547 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 41.4 mp0 -44.47 -54.46 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.0 t -60.74 -42.57 92.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.619 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 37.2 t80 -59.19 -50.85 72.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.634 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.06 -37.87 81.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.668 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -64.13 -42.03 96.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.59 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 32' ' ' VAL . 90.2 t -67.07 -41.9 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.611 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.27 -54.86 40.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.2 mm? -59.29 -34.78 72.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.612 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.26 -49.69 26.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.649 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.77 -32.57 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.7 t30 46.56 49.76 13.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.539 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 28.2 t-20 -168.69 79.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -51.86 -37.89 53.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.617 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -54.18 -44.22 71.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.8 mt -77.2 -30.86 54.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.667 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.531 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.4 tp -62.77 -38.66 91.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.18 -35.61 80.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.566 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -40.95 -59.8 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.69 0.92 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.12 -56.81 3.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.46 87.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.33 -36.97 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.631 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.46 -54.45 12.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CG ' ' CB ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.53 -56.59 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.589 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.64 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.475 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.4 tp60 -33.6 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.569 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -59.99 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.627 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -46.97 -30.93 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.1 ttp -68.9 -66.51 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.85 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.7 mm-40 -124.56 24.8 7.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.87 44.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.489 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.585 ' N ' ' O ' ' A' ' 61' ' ' GLN . 24.1 m -58.8 111.36 3.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.629 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.7 115.2 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.92 2.413 . . . . 0.0 112.182 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.4 p -109.38 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.63 ' N ' HG22 ' A' ' 65' ' ' VAL . 23.4 ttpp -125.2 103.97 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.526 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.887 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.56 148.31 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.664 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.887 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.584 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.535 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.41 75.16 0.32 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.788 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.49 14.78 2.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 110.631 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.606 ' C ' ' O ' ' A' ' 70' ' ' TYR . 31.6 t70 20.17 39.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.522 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 1.072 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.4 OUTLIER -98.77 19.39 14.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.706 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.0 mm100 -0.24 50.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.487 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.072 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.72 ' N ' HG22 ' A' ' 74' ' ' VAL . 47.4 mt -113.36 152.31 30.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.05 105.54 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.18 -176.91 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.562 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.83 -31.27 45.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.595 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.455 ' CE1' HD13 ' A' ' 155' ' ' ILE . 80.3 m-70 -64.03 -23.54 67.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.544 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.64 50.51 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -85.52 100.03 11.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.344 . . . . 0.0 110.588 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' O ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -49.66 -51.48 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.74 25.36 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -116.04 1.19 13.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.825 0.345 . . . . 0.0 110.634 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.23 -15.79 9.3 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.527 ' NH2' ' OD2' ' A' ' 107' ' ' ASP . 14.7 mtt-85 -108.4 168.74 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.565 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.1 m-85 -114.57 -170.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.9 tp -118.31 157.32 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.706 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.0 t0 -139.29 89.0 12.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.8 Cg_endo -60.96 -36.7 81.77 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.855 2.37 . . . . 0.0 112.022 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -59.47 -75.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.676 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 t-20 -76.53 -20.34 56.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.51 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 29.1 mttp 62.77 62.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.648 HD13 ' OD1' ' A' ' 92' ' ' ASN . 23.5 pt -146.43 154.42 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.829 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.5 t -92.64 132.99 36.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.694 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.8 p90 -140.1 136.68 33.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.459 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.687 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 73.7 tttt -88.73 113.42 24.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.896 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 47.9 t80 -82.71 133.1 35.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.534 ' O ' ' O ' ' A' ' 102' ' ' ARG . 8.7 t70 -104.51 90.07 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.581 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.461 ' CB ' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.44 -67.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 101' ' ' LEU . 11.0 mp -47.52 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.537 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.534 ' O ' ' O ' ' A' ' 99' ' ' ASP . 86.7 mtm180 -52.8 156.32 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -88.94 2.37 53.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.556 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.555 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.862 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 63.3 m -95.56 -164.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.543 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.862 ' OD1' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 73.72 54.54 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.829 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.2 Cg_endo -73.53 -177.82 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.801 2.334 . . . . 0.0 112.081 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.82 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.0 OUTLIER -160.09 124.56 2.11 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.483 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -47.18 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.86 2.373 . . . . 0.0 112.04 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -122.87 102.5 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -75.52 88.45 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.601 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.4 p -46.93 164.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -76.07 -30.08 58.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.645 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.94 35.62 1.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.511 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.97 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.493 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.677 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.5 tp -104.1 3.36 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.708 ' HZ2' HH21 ' A' ' 121' ' ' ARG . 10.6 mmpt? -53.97 -41.89 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.527 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 94.9 mt-30 -39.25 -55.98 1.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.517 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 -62.54 -47.62 83.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.708 HH21 ' HZ2' ' A' ' 118' ' ' LYS . 5.5 tmm_? -53.91 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.568 ' C ' ' O ' ' A' ' 121' ' ' ARG . 99.6 m-20 -25.5 -45.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.99 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.1 t -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.424 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.2 t70 -40.38 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.6 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 31.6 m -48.02 -46.16 32.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.501 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.32 -51.41 34.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.55 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.5 tt -72.84 -12.25 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.637 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.41 -32.7 74.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.631 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.602 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.63 -39.27 24.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.565 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.74 -38.8 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 134' ' ' ASP . 93.8 t -74.72 -40.54 47.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.442 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 49.9 tttm -76.12 25.95 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.631 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.528 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.6 m-20 -147.55 7.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -151.07 -21.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.515 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' B' ' 544' ' ' ARG . 85.5 m-85 -114.66 106.43 52.18 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.633 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.9 Cg_exo -51.58 -57.19 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.833 2.355 . . . . 0.0 112.045 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -127.57 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.91 163.62 12.61 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.585 ' HB2' HD21 ' A' ' 75' ' ' LEU . 55.5 m-85 -135.05 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.774 0.321 . . . . 0.0 110.599 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.9 m -161.41 97.37 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 40.8 t -75.73 143.39 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.589 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 54.8 m-85 -120.21 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.73 84.56 0.37 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -123.81 167.35 14.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.542 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 38.4 t -107.61 115.39 30.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.541 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.499 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 20.5 mt -91.14 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.51 ' O ' ' OD2' ' A' ' 149' ' ' ASP . 4.4 p-10 46.64 54.18 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.73 4.18 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -53.78 129.84 34.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.651 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.657 ' H ' HG21 ' A' ' 181' ' ' ILE . 22.7 mt-30 -85.8 150.47 24.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.436 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.959 HG23 ' C ' ' A' ' 179' ' ' PHE . 99.2 m -155.21 146.23 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.737 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.53 110.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.403 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.589 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 85.5 mt -98.05 117.01 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.83 116.05 27.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.267 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 47.1 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.0 mt -122.71 137.69 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.253 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.37 151.91 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.986 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.744 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.1 OUTLIER -170.91 121.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.265 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.673 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.9 p-80 -140.64 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.992 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.6 mm-40 -148.63 77.85 1.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.207 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.673 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.4 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.524 ' OE1' ' ND2' ' A' ' 167' ' ' ASN . 1.3 tm0? -167.99 66.01 0.73 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.356 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.59 -52.18 4.16 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.839 2.36 . . . . 0.0 112.141 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.487 ' C ' HD22 ' A' ' 167' ' ' ASN . 64.0 mttp -43.85 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.466 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . 0.687 ' N ' ' O ' ' A' ' 165' ' ' PRO . 1.2 m-80 -121.96 -10.5 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.46 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.813 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.4 m-85 70.07 80.05 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.813 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.7 p-90 158.8 127.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.96 162.32 33.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.363 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.86 163.15 29.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.579 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.8 ttp180 -165.69 136.7 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.782 0.325 . . . . 0.0 110.33 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' TRP . . . . . 0.744 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.5 t-105 -107.61 138.91 42.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.83 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -125.35 152.27 44.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.179 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.474 ' HB2' ' NE1' ' A' ' 173' ' ' TRP . 1.0 OUTLIER -166.33 111.12 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.058 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.641 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 43.8 tt0 -116.41 124.7 50.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.076 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.689 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.9 m95 -120.59 116.87 26.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.953 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.56 119.8 37.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.395 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.959 ' C ' HG23 ' A' ' 153' ' ' THR . 34.9 m-85 -117.48 88.56 2.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.76 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.95 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 16.6 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.626 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . 0.82 ' O ' HG23 ' A' ' 182' ' ' THR . 9.6 tp -164.31 151.34 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.942 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.77 61.36 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.48 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 1.056 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 79.7 Cg_exo -34.33 12.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.416 2.744 . . . . 0.0 112.712 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . 0.942 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 61.6 Cg_endo -79.83 -4.29 13.32 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.855 2.37 . . . . 0.0 112.153 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . 1.073 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.258 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.181 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.84 131.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.941 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 1.085 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 28.1 mp0 -106.73 -115.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.249 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.65 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.764 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.8 111.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.365 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.49 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.77 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . 0.707 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 2.4 mp -85.57 157.83 20.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -150.33 147.78 28.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.837 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 2.3 mt -149.42 134.08 9.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.276 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -142.34 130.31 21.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.904 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.69 136.63 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.159 179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . 0.773 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.4 t-160 -126.52 141.56 51.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.927 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.52 87.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.783 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.8 p90 -100.09 87.79 3.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.8 tt0 -129.46 52.25 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.334 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.9 m-20 114.82 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.401 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.68 -129.1 1.08 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -172.84 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.02 129.13 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.566 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.7 mt-30 -136.73 154.16 50.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.483 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.542 HD12 ' O ' ' B' ' 488' ' ' ASN . 12.4 tp -122.32 87.16 2.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.671 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.6 t -89.98 122.19 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.432 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 53.3 p -149.58 147.2 27.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 0.0 110.761 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . 0.461 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 33.8 p80 -157.84 145.13 18.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.19 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -135.46 129.01 32.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.866 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' A' ' 191' ' ' VAL . 65.7 m-20 -103.56 129.83 50.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.232 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . 0.488 ' N ' HD12 ' A' ' 212' ' ' ILE . 2.0 mp -127.13 154.93 37.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.913 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -150.23 102.67 3.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.334 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' ASP . . . . . 0.647 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 35.2 t70 -118.83 166.1 13.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.72 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 1.085 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 83.6 p -117.79 103.39 9.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' VAL . . . . . 1.181 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.95 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.662 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . 1.073 ' HA ' ' O ' ' A' ' 185' ' ' THR . 84.1 mt-30 -102.68 128.03 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 1.069 HG23 ' HB2' ' A' ' 186' ' ' ALA . 67.3 t -85.99 137.52 20.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.615 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.956 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.04 -98.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.24 -163.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.559 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' ASP . . . . . 0.47 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.3 p-10 -86.82 -62.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.47 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 91.7 t -70.06 -24.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.534 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -73.95 -56.78 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.535 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.956 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.8 p -54.59 -36.93 64.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.431 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.58 -57.05 14.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.465 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.1 -30.56 64.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.372 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -67.6 -38.8 84.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.414 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.437 ' CE1' HG11 ' A' ' 216' ' ' VAL . 37.7 m-85 -67.73 -53.92 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.19 -27.27 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.4 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -74.89 -36.75 62.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.337 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' ILE . . . . . 0.415 HD11 ' HB ' ' A' ' 216' ' ' VAL . 94.9 mt -67.52 -41.14 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.441 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' A' ' 236' ' ' GLU . 51.5 mt -70.12 -44.49 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.393 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.434 ' OE1' ' OD1' ' A' ' 234' ' ' ASN . 4.5 tm-20 -57.06 -47.02 81.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.495 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . 0.434 ' OD1' ' OE1' ' A' ' 233' ' ' GLU . 99.0 m-20 -69.58 -43.93 71.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.465 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.17 -51.86 61.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.475 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 232' ' ' ILE . 76.5 mm-40 -60.24 -44.09 95.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.482 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' ASN . . . . . 0.577 ' O ' HG23 ' A' ' 241' ' ' THR . 0.3 OUTLIER -60.09 -40.15 88.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.409 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -69.86 -34.22 73.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.514 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . 0.492 ' CE2' HD11 ' A' ' 243' ' ' ILE . 51.8 t80 -68.54 -44.41 74.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.494 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -68.14 -39.02 82.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.543 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 237' ' ' ASN . 17.5 p -61.42 -45.79 92.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.534 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . 0.492 HD11 ' CE2' ' A' ' 239' ' ' TYR . 40.5 mt -69.15 -47.51 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.552 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 39.0 t -60.66 -34.25 74.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.559 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.88 -42.93 84.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . 0.617 HD21 ' CB ' ' B' ' 484' ' ' SER . 51.2 m-20 -62.13 -34.61 76.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.496 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 247' ' ' TYR . . . . . 0.586 ' CE2' ' NZ ' ' B' ' 537' ' ' LYS . 0.0 OUTLIER -64.92 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.557 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.28 -50.85 19.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . 0.559 ' O ' ' HB ' ' A' ' 253' ' ' THR . 45.7 p -64.76 -34.84 79.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.574 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . 0.457 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.2 ptp -72.88 -14.43 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.9 p -113.06 -10.06 13.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.576 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 252' ' ' ASP . . . . . 0.656 ' O ' ' OG1' ' A' ' 253' ' ' THR . 54.5 t0 -132.16 47.77 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.597 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 253' ' ' THR . . . . . 0.656 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.1 m 175.71 -78.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.536 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . 0.521 ' N ' HG22 ' A' ' 253' ' ' THR . 6.8 m -53.48 -61.3 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.544 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -47.65 -57.55 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.586 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -64.18 -11.76 33.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.606 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.23 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 95.4 mt -77.97 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.627 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 259' ' ' ARG . . . . . 0.685 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 2.9 ttt180 -98.65 174.47 6.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.493 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 260' ' ' ARG . . . . . 0.685 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 49.1 mtp180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.563 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -83.77 -11.21 57.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.66 133.27 3.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.494 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 263' ' ' PRO . . . . . 0.722 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.4 Cg_exo -43.94 135.4 7.82 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.92 2.414 . . . . 0.0 112.098 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 264' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 265' ' ' THR . 10.5 p -37.75 -39.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.637 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 265' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 267' ' ' THR . 63.1 p -64.19 -5.42 4.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.628 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 266' ' ' ARG . . . . . 0.7 ' N ' ' O ' ' A' ' 263' ' ' PRO . 85.6 mtm180 54.18 55.52 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.4 t 173.31 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.441 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 63.9 mttp -16.8 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.575 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 269' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.7 OUTLIER -50.37 158.52 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.81 ' O ' ' N ' ' A' ' 273' ' ' LYS . 84.2 m-20 -117.07 58.52 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.537 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 271' ' ' TRP . . . . . 0.61 ' O ' ' N ' ' A' ' 274' ' ' ILE . 82.0 m95 -21.44 -55.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.654 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 270' ' ' ASP . 17.4 t-20 -44.6 -25.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . 1.22 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -100.0 -7.7 24.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.601 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 274' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 274' ' ' ILE . 58.8 mt -103.12 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.626 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . 0.717 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.7 mt -111.12 44.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.54 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . 1.285 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.8 p 141.93 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 1.22 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 68.2 t80 -30.97 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.591 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 278' ' ' LYS . . . . . 1.285 ' N ' ' O ' ' A' ' 276' ' ' SER . 13.7 mptt -107.71 80.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.573 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 1.076 ' O ' ' O ' ' A' ' 280' ' ' GLY . 17.8 mm 54.26 3.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 1.076 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.58 -135.16 0.0 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 3.7 tmtp? . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.525 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 302' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 28.9 t . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -42.71 -51.27 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.5 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -55.33 -34.13 63.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.482 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.491 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.72 -49.08 78.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.432 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.28 -40.6 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.43 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -64.88 -40.81 95.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.402 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 99.2 m -68.2 -37.11 80.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.373 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.72 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.351 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.34 -38.41 84.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.368 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -68.29 -33.68 74.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.364 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.8 tp -68.75 -43.77 75.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.389 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.2 mmm -64.37 -25.62 68.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.394 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.45 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 315' ' ' ARG . . . . . 0.604 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.6 mtt-85 -100.11 -46.87 5.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.487 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.69 147.73 95.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.618 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.65 128.4 21.03 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.828 2.352 . . . . 0.0 112.036 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 318' ' ' PRO . . . . . 0.423 ' HA ' HG13 ' B' ' 321' ' ' ILE . 41.9 Cg_endo -71.41 -4.09 14.29 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.858 2.372 . . . . 0.0 112.079 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . 0.477 ' NE2' ' CG ' ' B' ' 488' ' ' ASN . 79.2 mt-30 -80.53 -17.81 50.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -123.96 39.53 3.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 321' ' ' ILE . . . . . 0.423 HG13 ' HA ' ' B' ' 318' ' ' PRO . 86.8 mt -63.38 -40.89 90.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.558 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 322' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' B' ' 322' ' ' GLU . 3.2 mp0 -59.68 -60.87 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.54 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.62 -54.39 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.5 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -54.71 -55.77 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.443 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.52 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 43.9 tp -47.12 -48.95 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.422 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.9 t -57.1 -49.68 75.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -62.33 -40.71 97.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.484 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' LEU . . . . . 0.72 HD21 ' HB1' ' B' ' 309' ' ' ALA . 49.1 tp -55.55 -41.07 72.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.486 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.45 -41.19 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.434 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -57.75 -38.02 74.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.25 -29.07 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.369 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.56 84.64 9.02 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.471 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.15 -5.54 15.04 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.708 2.272 . . . . 0.0 112.056 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 94.1 p -89.36 -6.38 56.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 99.0 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' CYS . . . . . 0.428 ' SG ' HD11 ' B' ' 340' ' ' LEU . 12.2 t -64.13 -55.85 18.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.35 -50.43 73.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -58.73 -36.16 73.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.488 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 61.3 mt -79.08 -28.64 43.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.56 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' LEU . . . . . 0.649 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.5 mt -81.49 12.41 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 52.9 p -144.12 -3.62 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.58 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.0 p -119.4 -15.49 9.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 94.3 t -105.83 120.1 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -87.84 128.69 35.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.645 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.52 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.33 165.93 29.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.527 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.52 125.27 5.97 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.794 2.33 . . . . 0.0 112.124 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' B' ' 347' ' ' LEU . 97.4 mt -66.63 122.48 17.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.703 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -88.64 148.82 23.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.447 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.9 pt -102.96 136.4 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.725 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' ALA . . . . . 0.733 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.72 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.439 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -114.36 143.29 45.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.588 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 68.1 t0 -111.86 81.42 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.512 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 66.5 mmtt -37.26 -62.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.599 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 98.0 t -39.52 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.572 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 41.4 t -93.0 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.632 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.17 24.66 70.74 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' B' ' 352' ' ' ASP . 29.2 tptt -115.03 154.88 28.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.598 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' ASP . . . . . 0.733 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 39.3 p30 -94.75 143.05 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.689 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.5 p90 -139.68 135.71 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.559 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 58.8 mt -69.17 156.61 38.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.479 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.9 mt -108.5 158.62 17.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.62 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 362' ' ' CYS . . . . . 0.649 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.5 p -168.26 168.62 11.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 363' ' ' ASP . . . . . 0.649 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.8 t70 -75.47 -10.27 59.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.643 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 364' ' ' TYR . . . . . 0.608 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 44.5 m-85 -88.37 -18.18 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 365' ' ' ASN . . . . . 0.649 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 35.1 p-10 -123.28 24.82 8.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.563 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 366' ' ' ARG . . . . . 0.487 HH22 HD13 ' B' ' 340' ' ' LEU . 30.6 ttp180 -119.93 129.86 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.2 99.56 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.02 -98.72 1.74 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -126.3 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.545 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 370' ' ' SER . . . . . 1.101 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 1.4 m -122.39 161.31 23.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 371' ' ' TYR . . . . . 1.083 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.6 m-85 -118.29 150.79 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.535 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . 0.588 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.0 ttp180 -98.71 124.69 43.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.674 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 373' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 32.9 t -79.53 133.76 59.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.9 -14.77 19.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.831 2.354 . . . . 0.0 112.223 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -85.85 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.4 p -83.17 -18.6 38.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 377' ' ' ASN . . . . . 0.638 ' ND2' ' NE ' ' B' ' 394' ' ' ARG . 34.2 t30 70.27 40.79 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.554 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -141.56 137.89 32.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 379' ' ' TYR . . . . . 1.083 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 35.8 m-85 -65.72 140.47 58.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.65 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . 0.754 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -52.02 -60.42 6.19 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 1.101 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 33.7 Cg_exo -65.42 120.03 7.16 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 123.001 2.467 . . . . 0.0 112.32 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.58 79.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 123.032 2.488 . . . . 0.0 112.233 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' B' ' 381' ' ' PRO . 0.5 OUTLIER -84.57 177.55 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.52 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.596 ' H ' HD23 ' B' ' 383' ' ' LEU . 97.4 mt-10 -111.66 -72.11 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -117.01 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.525 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 387' ' ' ALA . . . . . 0.513 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.98 127.26 30.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.785 0.326 . . . . 0.0 110.632 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.6 mtm -132.23 148.6 70.41 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.98 150.76 49.34 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.746 2.298 . . . . 0.0 112.17 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 93.8 p -52.72 142.9 17.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -67.92 -37.81 82.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 52.9 tp -70.82 -42.49 70.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.389 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.638 ' NE ' ' ND2' ' B' ' 377' ' ' ASN . 43.4 ttm180 -55.29 -36.84 66.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.4 tptm -63.53 -46.57 85.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.336 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.37 -32.02 73.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.293 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.567 ' CD ' HH22 ' B' ' 372' ' ' ARG . 43.0 tt0 -67.8 -38.04 82.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.06 -40.28 88.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.435 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -37.03 79.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.92 94.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.394 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 401' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.9 -39.07 93.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.367 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -72.13 -40.4 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.97 79.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.33 -29.2 66.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.416 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 23.4 m-20 -54.66 -38.85 67.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.365 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -77.03 -32.91 57.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 407' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' B' ' 407' ' ' TYR . 2.0 t80 -69.74 -18.62 63.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 408' ' ' ARG . . . . . 0.601 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.2 OUTLIER -83.84 -35.48 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.547 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 409' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 9.7 t0 -85.2 -8.91 58.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 410' ' ' LEU . . . . . 0.674 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 46.4 mt -95.9 -17.87 20.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 411' ' ' TYR . . . . . 0.722 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.88 -38.08 3.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.547 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.6 m-85 -100.61 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 63.47 24.36 14.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.52 25.5 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 415' ' ' GLY . . . . . 0.601 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.42 -163.49 52.91 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 15.5 t -128.66 153.69 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 0.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 19.8 p -143.52 148.52 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.701 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.3 m -148.22 143.97 27.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.397 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 98.7 t -132.83 130.26 58.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.808 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.551 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.2 m-85 -128.47 132.45 48.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.325 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.69 158.41 26.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.74 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 422' ' ' TRP . . . . . 0.975 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.6 p90 -154.48 110.53 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.513 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -43.01 159.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.633 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 424' ' ' LEU . . . . . 0.507 HD11 ' HB2' ' B' ' 429' ' ' ALA . 56.7 mt -127.87 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.599 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . 0.434 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 98.0 m-20 -87.34 -49.88 6.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.74 30.69 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.575 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.68 -135.63 2.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -170.72 154.11 4.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . 0.975 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.97 172.8 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.565 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.12 161.76 35.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 431' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.4 p -130.13 126.36 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 110.49 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.6 mp -103.33 113.67 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.3 mt -102.92 143.13 32.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.572 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 434' ' ' ILE . . . . . 0.459 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 6.8 mt -148.65 119.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.63 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -122.56 127.5 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 436' ' ' LYS . . . . . 0.555 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.2 tptm -137.17 119.67 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.536 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.17 40.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.12 179.48 45.25 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 439' ' ' ASP . . . . . 0.505 ' O ' ' CG ' ' B' ' 442' ' ' LYS . 62.6 m-20 -50.7 128.08 19.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.569 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.02 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 60.0 m -110.34 -4.28 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 0.0 110.618 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' B' ' 439' ' ' ASP . 0.0 OUTLIER -89.15 153.88 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.541 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -56.91 -43.82 81.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 444' ' ' ILE . . . . . 0.453 ' O ' ' HD3' ' B' ' 442' ' ' LYS . 12.8 tt -95.11 135.98 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.716 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -105.81 154.71 20.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.365 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.45 24.55 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 3.8 t -149.46 130.61 14.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.229 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 448' ' ' TRP . . . . . 0.552 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.0 t-105 -114.77 116.25 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 449' ' ' ASP . . . . . 0.547 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.47 127.19 54.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 179.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 450' ' ' SER . . . . . 0.6 ' OG ' ' CE1' ' B' ' 452' ' ' HIS . 1.2 t -115.89 122.72 46.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.0 mt -127.9 100.85 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.198 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 452' ' ' HIS . . . . . 0.6 ' CE1' ' OG ' ' B' ' 450' ' ' SER . 8.8 m-70 -108.71 132.49 53.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.825 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.7 t -128.74 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 454' ' ' VAL . . . . . 0.427 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.4 p -96.74 153.68 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.98 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 455' ' ' GLU . . . . . 0.427 ' N ' HG22 ' B' ' 454' ' ' VAL . 95.9 mt-10 -131.83 102.24 5.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.363 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 456' ' ' VAL . . . . . 0.419 HG22 ' CE2' ' B' ' 467' ' ' TYR . 67.5 t -79.09 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.8 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.52 68.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.386 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 458' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 75.6 mt-10 -40.3 146.4 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.627 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 459' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.3 mmtp -109.33 142.04 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.96 -54.21 16.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.624 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.5 p -126.66 146.52 50.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.541 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 462' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.31 -12.79 48.11 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 59.16 -0.25 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.318 . . . . 0.0 110.625 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.572 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.5 t -82.21 123.63 29.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 465' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.72 151.9 32.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.737 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 466' ' ' HIS . . . . . 0.52 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.7 t-160 -92.96 126.54 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.373 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 467' ' ' TYR . . . . . 0.419 ' CE2' HG22 ' B' ' 456' ' ' VAL . 88.6 m-85 -103.16 139.48 38.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.936 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . 0.4 ' CE ' ' NE2' ' B' ' 496' ' ' GLN . 88.0 tttt -135.84 86.14 2.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 469' ' ' LEU . . . . . 0.753 HD12 ' H ' ' B' ' 470' ' ' THR . 34.9 tp -82.12 157.49 24.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 0.0 111.097 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 470' ' ' THR . . . . . 0.753 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.7 m -157.8 62.83 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.109 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 49.1 m -64.66 174.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.099 -179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 472' ' ' THR . . . . . 0.508 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.5 m -168.76 87.52 0.19 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.109 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 473' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.76 143.83 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.044 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 474' ' ' MET . . . . . 0.454 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.2 mtp -124.8 96.03 4.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.16 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 475' ' ' LEU . . . . . . . . . . . . . 3.6 tp -86.7 131.19 34.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 476' ' ' TRP . . . . . 0.516 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 50.4 m95 -125.31 130.3 51.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.215 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 4.7 mp -137.36 124.68 21.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.758 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -138.22 158.1 44.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.45 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 479' ' ' THR . . . . . . . . . . . . . 3.6 m -163.42 127.48 2.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.623 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 480' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 13.8 m120 -108.16 73.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 481' ' ' LYS . . . . . 0.878 ' O ' ' N ' ' B' ' 485' ' ' GLY . 6.5 mmtt -107.56 146.6 31.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.572 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 20.2 m -57.24 -46.0 83.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.59 -25.3 68.69 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . 0.617 ' CB ' HD21 ' A' ' 246' ' ' ASN . 74.3 m -125.89 14.82 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.587 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 485' ' ' GLY . . . . . 0.878 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.48 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 486' ' ' THR . . . . . 0.461 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 23.8 p -126.0 113.99 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.342 . . . . 0.0 110.528 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 487' ' ' MET . . . . . 0.59 ' O ' ' SD ' ' B' ' 487' ' ' MET . 5.0 ppp? -125.14 118.05 25.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.517 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 488' ' ' ASN . . . . . 0.542 ' O ' HD12 ' A' ' 206' ' ' LEU . 34.0 t-20 -118.97 124.01 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.662 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 489' ' ' LEU . . . . . 0.452 ' HB2' HD13 ' A' ' 206' ' ' LEU . 13.2 tp -131.68 76.69 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.619 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.83 21.78 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 491' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.81 -142.64 11.08 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 492' ' ' SER . . . . . 0.645 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.5 p 163.25 135.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.481 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 84.9 mt -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 494' ' ' THR . . . . . 0.508 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.6 m -127.11 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.489 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -149.98 128.76 12.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.643 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 496' ' ' GLN . . . . . 0.4 ' NE2' ' CE ' ' B' ' 468' ' ' LYS . 45.9 tt0 -92.81 160.54 14.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.544 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 47.1 ttp -160.05 130.42 5.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.68 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.52 141.62 47.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.496 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.24 145.83 1.78 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.52 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 56.5 m-20 -91.31 125.21 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 501' ' ' GLU . . . . . 0.424 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.3 tt0 -120.72 160.22 23.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.6 m -94.3 131.86 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.66 122.37 50.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.664 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.3 p -142.99 -177.25 5.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.564 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.83 -35.91 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.61 -19.88 34.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.572 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 14.2 t -135.5 73.48 62.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.59 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.79 2.327 . . . . 0.0 112.125 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.75 -62.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.81 -49.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.98 -49.23 71.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.654 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 512' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.5 m-20 -62.99 -48.14 80.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.619 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.04 -33.67 56.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.609 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.64 -46.63 74.43 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -57.29 -44.32 83.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.712 0.292 . . . . 0.0 110.758 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.24 -52.55 61.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.39 -47.25 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.623 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.88 -51.75 68.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.716 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.47 -37.59 87.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.686 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 25.1 tpp -64.33 -49.45 71.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -62.53 -45.3 93.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.734 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 522' ' ' ASN . . . . . 0.423 ' ND2' ' OH ' ' B' ' 411' ' ' TYR . 14.2 m120 -56.93 -41.42 78.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -70.61 -38.49 73.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 93.4 mt -74.45 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.65 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 525' ' ' ARG . . . . . 0.447 ' CG ' HH11 ' B' ' 525' ' ' ARG . 1.5 ttt-85 -68.73 -27.59 66.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -85.07 -38.73 18.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.649 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 13.5 m -66.04 -35.79 81.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.62 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 46.4 mt -64.98 -42.38 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . 0.408 ' ND2' ' C ' ' B' ' 529' ' ' ASN . 0.6 OUTLIER -68.53 -31.3 70.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.4 -54.45 7.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.599 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 531' ' ' ILE . . . . . 0.403 HD12 HG23 ' B' ' 531' ' ' ILE . 48.8 mm -64.41 -61.51 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.576 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 532' ' ' TYR . . . . . 0.688 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.3 m-85 -50.22 -87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 533' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.76 40.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.583 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.497 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.3 tptm -56.93 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.319 . . . . 0.0 110.546 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.445 ' C ' ' O ' ' B' ' 535' ' ' LYS . 9.9 m -34.78 -58.04 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.545 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 537' ' ' LYS . . . . . 0.586 ' NZ ' ' CE2' ' A' ' 247' ' ' TYR . 74.7 tttt -50.35 -53.24 30.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -53.26 -44.94 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 539' ' ' ILE . . . . . 0.458 HG21 HG13 ' A' ' 196' ' ' VAL . 91.2 mt -61.72 -36.05 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.42 -41.93 92.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.691 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -69.87 -17.11 63.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.46 -27.29 48.45 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.461 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.2 -51.45 45.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.3 . . . . 0.0 110.356 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 544' ' ' ARG . . . . . 0.518 ' HB3' ' CE1' ' A' ' 136' ' ' TYR . 8.5 ptm180 -141.78 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.683 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 545' ' ' SER . . . . . 0.509 ' CB ' HD11 ' B' ' 549' ' ' ILE . 35.8 t -142.19 137.91 31.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.566 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 546' ' ' ILE . . . . . 0.479 ' CD1' ' OD1' ' A' ' 237' ' ' ASN . 0.9 OUTLIER -69.1 -43.53 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.508 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -82.86 138.6 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.635 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 548' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.45 122.07 8.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.586 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 46.8 mm -79.5 112.75 31.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.555 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 550' ' ' PRO . . . . . 0.572 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.8 Cg_exo -46.58 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.867 2.378 . . . . 0.0 112.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.572 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.1 p-10 -25.28 145.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -129.91 116.17 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -85.3 -24.75 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.496 ' O ' HD13 ' B' ' 558' ' ' LEU . 64.1 mttp -52.55 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.578 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.74 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.627 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -57.5 -46.91 83.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.781 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -65.78 -29.7 70.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . 0.496 HD13 ' O ' ' B' ' 554' ' ' LYS . 7.0 mp -77.78 -30.37 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.694 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -73.55 -36.37 65.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.727 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.15 -40.56 81.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.787 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 561' ' ' GLU . . . . . 0.589 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.2 mt-10 -67.87 -61.72 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.664 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.7 mt -49.03 -40.7 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.721 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 563' ' ' SER . . . . . 0.78 ' O ' ' N ' ' B' ' 565' ' ' VAL . 65.4 m -61.15 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.723 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.4 pt20 -36.74 -13.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.692 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.13 -42.66 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.9 mt -81.5 -35.55 30.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.562 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.3 p -70.27 -19.6 63.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.58 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -117.53 6.69 12.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.728 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.773 ' O ' ' HB2' ' B' ' 570' ' ' GLN . 21.2 ttm180 -161.02 -141.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.492 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.866 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 50.1 tt0 139.8 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.667 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 571' ' ' ILE . . . . . 0.866 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 56.7 mt . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 21.5 ttt . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 15.0 m 62.12 5.96 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.489 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -49.8 -37.83 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.521 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -69.67 -52.19 27.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -55.16 -28.91 56.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.555 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -75.62 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 607' ' ' MET . . . . . 0.43 ' SD ' ' CE2' ' C' ' 641' ' ' TYR . 38.7 ttp -72.79 -36.81 67.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -56.76 -16.01 5.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 609' ' ' ALA . . . . . 0.583 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.47 -50.63 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 610' ' ' LEU . . . . . 0.644 ' CD2' HG11 ' C' ' 618' ' ' VAL . 3.8 mt -66.29 1.99 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.596 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 611' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' C' ' 609' ' ' ALA . 7.0 tmtt? -102.08 -66.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 612' ' ' ASN . . . . . 0.65 ' N ' HD22 ' C' ' 612' ' ' ASN . 0.8 OUTLIER -70.36 -4.26 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.587 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 613' ' ' GLY . . . . . 0.592 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.07 21.84 58.4 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 614' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' C' ' 617' ' ' GLU . 2.6 t70 -63.87 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.801 0.334 . . . . 0.0 110.555 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 615' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' C' ' 613' ' ' GLY . 1.8 pp -44.94 -18.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.584 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 616' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' C' ' 614' ' ' ASP . 5.0 p-10 -77.69 -27.56 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 617' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' C' ' 614' ' ' ASP . 45.7 tp10 -81.55 -49.82 10.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.57 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 618' ' ' VAL . . . . . 0.644 HG11 ' CD2' ' C' ' 610' ' ' LEU . 1.9 m -62.88 -28.39 44.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.537 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 619' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 88.4 tttt -66.16 -21.88 66.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.517 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 620' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 34.1 t70 -75.39 -45.44 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.606 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.96 -59.15 5.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.546 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.1 p -57.75 -27.86 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 623' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.75 6.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.656 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -64.78 -76.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.618 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.44 0.1 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 80.8 tt0 34.09 95.45 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.87 0.367 . . . . 0.0 110.585 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 627' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 100.0 m-20 -140.94 62.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.639 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 628' ' ' VAL . . . . . 0.511 HG21 ' H ' ' C' ' 658' ' ' GLY . 4.1 m -121.97 76.9 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.52 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 629' ' ' ASN . . . . . 0.402 ' H ' ' H ' ' C' ' 630' ' ' ARG . 65.8 t30 -173.01 5.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.705 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 630' ' ' ARG . . . . . 0.402 ' H ' ' H ' ' C' ' 629' ' ' ASN . 26.8 mmt180 -79.02 166.83 21.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.535 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 631' ' ' THR . . . . . 0.507 ' O ' ' C ' ' C' ' 632' ' ' LEU . 43.5 p -82.04 87.65 6.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.626 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 632' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' C' ' 631' ' ' THR . 42.1 tp -31.23 -88.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.506 ' OE1' ' NH2' ' C' ' 636' ' ' ARG . 78.0 tt0 -71.69 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.71 -11.33 0.07 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 635' ' ' GLY . . . . . 0.543 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.78 0.18 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 636' ' ' ARG . . . . . 0.506 ' NH2' ' OE1' ' C' ' 633' ' ' GLU . 80.2 mtm180 -127.93 164.88 21.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.763 0.316 . . . . 0.0 110.575 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 637' ' ' LYS . . . . . 0.411 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.61 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.88 2.387 . . . . 0.0 112.144 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 639' ' ' LEU . . . . . 0.622 HD22 ' OD1' ' C' ' 660' ' ' ASP . 1.1 tp -117.74 -16.3 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.514 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 640' ' ' HIS . . . . . 0.542 ' CE1' ' OD2' ' C' ' 644' ' ' ASP . 26.9 t-80 -75.29 -43.8 49.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.511 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 641' ' ' TYR . . . . . 0.43 ' CE2' ' SD ' ' C' ' 607' ' ' MET . 0.9 OUTLIER -71.74 -35.93 70.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.47 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 642' ' ' ALA . . . . . 0.679 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.94 -45.0 75.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 643' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' C' ' 651' ' ' LEU . . . -68.99 -48.47 63.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.599 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 644' ' ' ASP . . . . . 0.542 ' OD2' ' CE1' ' C' ' 640' ' ' HIS . 88.0 m-20 -60.6 -35.7 76.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.538 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 645' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 18.9 m -160.88 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 646' ' ' GLY . . . . . 0.679 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.07 4.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 647' ' ' GLN . . . . . 0.62 ' C ' ' HG ' ' C' ' 648' ' ' LEU . 0.7 OUTLIER 51.71 4.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.699 0.285 . . . . 0.0 110.497 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 648' ' ' LEU . . . . . 0.976 HD13 ' OG ' ' C' ' 682' ' ' SER . 1.2 mt 71.65 6.94 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.523 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 649' ' ' GLU . . . . . 0.557 ' O ' ' CD1' ' C' ' 653' ' ' PHE . 97.5 mt-10 -115.75 -12.56 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.603 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 650' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' C' ' 653' ' ' PHE . 1.3 mm -87.56 -36.16 9.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' C' ' 643' ' ' ALA . 1.4 tt -62.29 -52.98 61.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 652' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -56.19 -22.58 30.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.509 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 653' ' ' PHE . . . . . 0.974 ' O ' ' N ' ' C' ' 655' ' ' LEU . 4.5 m-85 -75.89 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.584 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 654' ' ' LEU . . . . . 0.505 ' N ' HD12 ' C' ' 654' ' ' LEU . 11.0 mp -41.33 6.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.637 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 655' ' ' LEU . . . . . 0.974 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.2 tt -102.97 -47.81 4.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.595 ' N ' HD23 ' C' ' 655' ' ' LEU . 5.8 tp -59.32 -25.34 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -72.75 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 658' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.36 -109.03 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 659' ' ' ALA . . . . . 0.71 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.37 . . . . 0.0 110.578 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 660' ' ' ASP . . . . . 0.622 ' OD1' HD22 ' C' ' 639' ' ' LEU . 0.9 OUTLIER -57.45 10.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 661' ' ' ILE . . . . . 0.71 ' H ' ' C ' ' C' ' 659' ' ' ALA . 13.1 pt -66.0 1.87 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.559 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 662' ' ' ASN . . . . . 1.101 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 25.2 t-20 -163.68 -18.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 663' ' ' ALA . . . . . 0.763 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.11 -33.67 0.28 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.611 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 664' ' ' PRO . . . . . 1.101 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 78.6 Cg_exo -46.96 120.82 4.46 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.829 2.353 . . . . 0.0 112.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -125.9 -50.43 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.522 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -78.81 -16.17 57.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 667' ' ' HIS . . . . . 0.543 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 39.1 m80 -80.46 -6.32 57.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 668' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' C' ' 668' ' ' HIS . 57.2 t-80 40.6 37.31 0.46 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.571 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 669' ' ' ILE . . . . . 0.408 HG22 ' O ' ' C' ' 667' ' ' HIS . 5.7 tt -176.93 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 670' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.15 168.7 10.18 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.551 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 671' ' ' PRO . . . . . 0.488 ' HA ' ' OG ' ' C' ' 674' ' ' SER . 44.2 Cg_endo -72.51 -30.47 12.25 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.832 2.354 . . . . 0.0 112.147 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.593 ' CD1' ' HB1' ' C' ' 692' ' ' ALA . 8.2 mt -45.39 -49.06 13.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 673' ' ' LEU . . . . . 1.142 ' O ' ' CG2' ' C' ' 676' ' ' VAL . 43.5 mt -67.87 -27.75 66.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.585 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 674' ' ' SER . . . . . 0.488 ' OG ' ' HA ' ' C' ' 671' ' ' PRO . 25.0 m -51.83 -40.92 61.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 675' ' ' ALA . . . . . 0.432 ' HB3' ' CG2' ' C' ' 684' ' ' VAL . . . -74.54 -29.96 61.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.625 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 676' ' ' VAL . . . . . 1.142 ' CG2' ' O ' ' C' ' 673' ' ' LEU . 22.3 m -47.19 -66.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 677' ' ' TYR . . . . . 0.922 ' H ' HG23 ' C' ' 676' ' ' VAL . 39.9 t80 -77.89 39.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.607 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -124.5 -28.72 3.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.26 -11.32 72.4 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 2.9 m80 -71.95 -53.57 12.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.25 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 682' ' ' SER . . . . . 0.976 ' OG ' HD13 ' C' ' 648' ' ' LEU . 0.2 OUTLIER -67.39 -24.31 65.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.577 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -48.63 6.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 684' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' C' ' 675' ' ' ALA . 48.5 t -41.91 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.527 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 685' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' C' ' 687' ' ' LEU . 65.6 tttm -62.59 -73.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 29.5 mt -62.88 1.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.572 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 687' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.7 OUTLIER -81.87 -70.24 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.598 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.65 -21.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 689' ' ' SER . . . . . 0.417 ' N ' ' C ' ' C' ' 687' ' ' LEU . 38.3 t -55.73 -21.61 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 29.7 tptt -99.63 -6.27 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.505 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 691' ' ' GLY . . . . . 1.086 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.89 0.42 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 692' ' ' ALA . . . . . 0.593 ' HB1' ' CD1' ' C' ' 672' ' ' LEU . . . 24.17 18.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.575 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 693' ' ' ASP . . . . . 1.086 ' N ' ' O ' ' C' ' 691' ' ' GLY . 88.0 m-20 33.2 -128.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.604 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -152.44 -23.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.652 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 5.6 m -156.54 73.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 696' ' ' VAL . . . . . 0.559 HG11 HD22 ' C' ' 662' ' ' ASN . 14.6 p -93.47 -29.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.677 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -140.17 23.53 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.625 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.82 20.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 699' ' ' PRO . . . . . 0.647 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 77.8 Cg_exo -44.85 -27.72 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.824 2.349 . . . . 0.0 112.136 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 700' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 31.1 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 701' ' ' GLY . . . . . 0.559 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.4 89.13 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.1 tt -53.86 -66.65 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.626 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 81.6 p 16.13 -95.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.555 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 704' ' ' ALA . . . . . 0.619 ' HB3' HD23 ' C' ' 717' ' ' LEU . . . -106.64 -18.61 13.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 705' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.2 tt -62.88 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -80.72 15.15 1.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.38 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.536 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 708' ' ' THR . . . . . 0.627 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.5 m -139.83 -142.77 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.583 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 709' ' ' ASP . . . . . 0.627 ' H ' HG22 ' C' ' 708' ' ' THR . 24.0 t70 -148.82 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -72.52 151.81 42.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.56 -20.46 62.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.602 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.38 3.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.635 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 713' ' ' ILE . . . . . 0.506 ' O ' HD13 ' C' ' 713' ' ' ILE . 0.3 OUTLIER -69.97 -37.73 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.543 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 714' ' ' LYS . . . . . 0.466 ' N ' ' CG2' ' C' ' 713' ' ' ILE . 30.2 ttmt -51.98 -30.01 23.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.585 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.559 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 716' ' ' LEU . . . . . 1.039 ' O ' ' HB3' ' C' ' 717' ' ' LEU . 1.1 tt -161.13 98.33 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 717' ' ' LEU . . . . . 1.039 ' HB3' ' O ' ' C' ' 716' ' ' LEU . 0.3 OUTLIER 124.15 -176.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.56 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 718' ' ' GLN . . . . . 0.952 ' N ' HD12 ' C' ' 717' ' ' LEU . 11.9 pt20 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.621 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.744 HG13 ' O ' ' A' ' 8' ' ' VAL . 12.7 p -54.11 94.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.782 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -45.9 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.9 m-20 -64.91 -33.64 76.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -60.46 -39.34 87.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.2 tt0 -67.55 -41.0 84.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -63.73 -35.89 82.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.53 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 10' ' ' ASP . 79.6 t -65.24 -43.79 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HE ' ' HA ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -61.51 -39.75 92.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -47.45 86.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.448 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.88 75.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.559 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.65 75.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.574 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.93 -41.31 91.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.17 -44.9 87.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.594 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.47 85.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.59 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -76.01 8.43 3.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.574 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.1 m80 -123.71 15.34 9.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.493 ' HA ' ' HD3' ' A' ' 25' ' ' PRO . . . -75.5 146.96 81.55 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.478 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 24' ' ' ALA . 12.7 Cg_exo -68.2 167.47 21.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.016 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -70.89 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.734 2.289 . . . . 0.0 112.12 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.09 21.56 35.32 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -149.37 37.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.536 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.94 -48.86 27.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.542 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -57.02 -57.38 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.531 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 43.9 mp0 -44.46 -54.51 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.472 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.0 t -60.79 -42.5 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.602 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 89.9 t80 -59.17 -50.88 72.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.669 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.09 -37.89 81.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.646 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.12 -42.05 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.573 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 32' ' ' VAL . 85.6 t -67.07 -41.83 87.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.6 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -56.39 -54.78 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.414 HD22 ' SG ' ' B' ' 308' ' ' CYS . 9.8 mp -59.32 -34.72 72.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.586 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.7 mt -73.27 -49.76 25.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD12 HD22 ' B' ' 331' ' ' LEU . 13.8 tp -61.76 -32.59 72.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.475 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 66.4 t30 46.64 49.65 13.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.536 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.475 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 71.8 m-20 -168.62 79.89 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.632 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -51.9 -37.9 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -54.18 -44.16 71.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.26 -30.89 54.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.627 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 38.7 tp -62.68 -38.77 91.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.18 -35.58 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' OE1' HG21 ' A' ' 14' ' ' VAL . 77.1 tt0 -40.89 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.611 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.95 48.75 0.91 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 54' ' ' PHE . . . -87.15 -56.79 3.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 110.614 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.53 87.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.575 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -54.26 -37.04 64.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.584 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.49 -54.41 12.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.553 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.7 m-30 -46.5 -56.61 5.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.543 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 55' ' ' ALA . 90.4 mm-40 -33.55 -45.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.03 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.549 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -47.0 -30.9 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 81.8 mtp -68.84 -66.59 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.567 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.84 9.97 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 16.1 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.2 m-30 23.92 44.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.4 m -58.88 111.39 3.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.634 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.65 115.16 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.924 2.416 . . . . 0.0 112.196 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.648 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.8 p -109.39 165.96 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.648 ' N ' HG22 ' A' ' 65' ' ' VAL . 52.3 mttp -125.19 104.0 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.574 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.662 ' O ' ' C ' ' A' ' 68' ' ' GLU . 49.8 mt -51.63 148.34 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.657 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.662 ' C ' ' O ' ' A' ' 67' ' ' ILE . 11.5 tm-20 -13.26 -78.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.589 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 62.1 m-85 -137.47 14.73 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.351 . . . . 0.0 110.613 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.62 ' C ' ' O ' ' A' ' 70' ' ' TYR . 96.9 m-20 20.19 39.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.519 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 1.071 ' O ' ' N ' ' A' ' 74' ' ' VAL . 49.4 t0 -98.75 19.45 14.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.592 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.701 ' C ' ' O ' ' A' ' 72' ' ' ASP . 0.9 OUTLIER -0.23 50.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.071 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.92 173.32 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.722 ' N ' HG22 ' A' ' 74' ' ' VAL . 54.8 mt -113.37 152.33 30.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.484 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -104.08 105.53 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.6 p -130.19 -176.89 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -78.82 -31.29 45.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -63.98 -23.57 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.548 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.18 15.62 50.67 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.46 100.07 11.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.804 0.335 . . . . 0.0 110.615 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 tp -49.67 -51.5 37.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.564 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.16 -0.69 25.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -116.14 1.27 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.745 0.307 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.83 9.33 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.618 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.33 168.7 9.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.562 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.523 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 52.4 m-85 -114.56 -170.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 80' ' ' GLY . 3.8 tp -118.24 157.36 27.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.733 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.705 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 62.0 t0 -139.32 88.98 12.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.45 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.681 ' O ' ' NH1' ' A' ' 121' ' ' ARG . 11.2 Cg_endo -61.01 -36.64 81.67 Favored 'Trans proline' 0 C--N 1.304 -1.809 0 C-N-CA 122.855 2.37 . . . . 0.0 112.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.47 -75.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.455 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -76.48 -20.35 57.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 42.2 mttt 62.76 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.499 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.509 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 10.6 pt -146.45 154.46 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.819 ' O ' ' CA ' ' A' ' 108' ' ' PRO . 1.6 t -92.68 133.0 36.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 30.1 p90 -140.11 136.65 33.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 59.9 tttm -88.7 113.45 24.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.573 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.876 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.4 t80 -82.73 133.08 35.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.526 ' O ' ' O ' ' A' ' 102' ' ' ARG . 33.1 t0 -104.54 90.12 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -36.41 -67.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.8 tp -47.44 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.526 ' O ' ' O ' ' A' ' 99' ' ' ASP . 8.9 tpp180 -52.78 156.37 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -88.94 2.31 54.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.527 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -117.25 150.24 39.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.568 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.876 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.23 79.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.8 m -95.54 -164.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.449 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 2.0 m-20 73.78 54.52 0.28 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.553 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.819 ' CA ' ' O ' ' A' ' 95' ' ' SER . 58.5 Cg_endo -73.51 -177.83 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.83 2.353 . . . . 0.0 112.068 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.812 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.1 OUTLIER -160.11 124.55 2.1 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.555 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.14 131.03 17.31 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.832 2.355 . . . . 0.0 112.052 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -122.92 102.51 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.9 p-10 -75.55 88.47 2.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.555 ' OG1' ' NZ ' ' A' ' 118' ' ' LYS . 15.6 p -46.93 164.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.624 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.9 35.67 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.81 -59.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.67 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.07 3.35 33.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.551 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.555 ' NZ ' ' OG1' ' A' ' 113' ' ' THR . 37.8 ttmt -54.03 -41.85 68.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.516 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 118' ' ' LYS . 74.0 mt-30 -39.25 -55.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 11.0 m-90 -62.52 -47.64 83.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.548 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.844 ' HE ' ' N ' ' A' ' 122' ' ' ASP . 5.6 ttp180 -53.88 -80.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.844 ' N ' ' HE ' ' A' ' 121' ' ' ARG . 66.2 t0 -25.45 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.5 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.13 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.6 m -51.11 -48.56 61.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.553 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.449 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 36.4 t70 -40.46 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.9 t -48.03 -46.11 32.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.498 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.36 -51.44 34.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.507 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.78 -12.24 60.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.531 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.614 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.79 74.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.65 -39.2 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.579 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 21.0 t80 -54.79 -38.8 67.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 134' ' ' ASP . 97.7 t -74.74 -40.53 47.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.456 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 28.4 tptt -76.16 25.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.541 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.7 m-20 -147.51 7.6 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.54 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.622 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 93.5 m-70 -151.01 -21.6 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.57 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 5.3 m-85 -114.65 106.5 52.11 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.589 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.467 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.8 Cg_exo -51.61 -57.23 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.773 2.315 . . . . 0.0 112.021 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -127.52 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.578 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.526 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.65 12.62 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.553 ' HB2' HD21 ' A' ' 75' ' ' LEU . 47.2 m-85 -135.06 158.12 45.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.765 0.317 . . . . 0.0 110.582 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.3 28.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.551 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 86.7 m -161.4 97.34 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.532 HG12 ' HG3' ' A' ' 121' ' ' ARG . 43.1 t -75.72 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.63 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 92.8 m-85 -120.21 124.32 45.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.75 84.5 0.37 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.473 ' HG3' ' H ' ' A' ' 147' ' ' SER . 20.5 tptt -123.79 167.31 14.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.512 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.473 ' H ' ' HG3' ' A' ' 146' ' ' LYS . 54.0 p -107.51 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.524 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 16.4 mm -91.2 104.13 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 42.4 t0 46.65 54.18 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.54 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.77 4.18 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.73 129.8 34.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.319 . . . . 0.0 110.684 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.649 ' H ' HG21 ' A' ' 181' ' ' ILE . 82.5 mm-40 -85.76 150.51 24.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.986 HG23 ' C ' ' A' ' 179' ' ' PHE . 87.3 m -155.28 146.22 22.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.73 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' A' ' 179' ' ' PHE . 4.8 mp -108.53 110.0 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.441 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.63 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 19.8 mm -98.06 117.07 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.91 116.09 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.252 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 95.9 m -106.17 135.47 47.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.3 mt -122.76 137.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.213 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.526 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.6 tm-20 -131.3 151.91 51.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.905 0.383 . . . . 0.0 111.029 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.734 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.183 179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 0.5 OUTLIER -140.63 170.6 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.949 0.404 . . . . 0.0 110.958 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.5 mm-40 -148.61 77.85 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.248 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -65.4 147.48 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.951 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.637 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 3.1 tp-100 -168.0 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.68 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.5 Cg_endo -60.69 -52.12 4.15 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.5 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.459 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . 0.68 ' N ' ' O ' ' A' ' 165' ' ' PRO . 97.8 m-20 -121.94 -10.46 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.52 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.828 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 48.6 m-85 70.04 80.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.828 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 16.1 p-90 158.82 127.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.742 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -136.03 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.361 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 41.4 ttm180 -165.72 136.64 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' TRP . . . . . 0.734 ' N ' ' O ' ' A' ' 160' ' ' SER . 5.0 t-105 -107.55 138.87 42.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.486 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.3 mtm180 -125.35 152.28 44.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.179 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 175' ' ' SER . 0.3 OUTLIER -166.31 111.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.033 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.639 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 81.5 tt0 -116.42 124.72 50.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.094 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.663 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.4 m95 -120.57 116.92 26.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -98.62 119.83 38.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.386 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.986 ' C ' HG23 ' A' ' 153' ' ' THR . 35.8 m-85 -117.51 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 0.0 110.71 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.915 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.7 m -50.08 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.612 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . 0.794 ' O ' HG23 ' A' ' 182' ' ' THR . 9.8 tp -164.31 151.35 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.661 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.928 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.78 61.45 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 1.072 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 90.3 Cg_exo -34.41 12.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.82 0 C-N-CA 123.481 2.787 . . . . 0.0 112.661 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . 0.928 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.6 Cg_endo -79.8 -4.32 13.35 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.851 2.367 . . . . 0.0 112.144 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . 1.045 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.32 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.22 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.155 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.79 131.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 1.135 ' O ' HG23 ' A' ' 188' ' ' VAL . 86.9 mt-30 -106.75 -114.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.235 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.135 HG23 ' O ' ' A' ' 187' ' ' GLN . 6.5 t 145.63 173.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.674 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.738 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.83 111.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.365 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 191' ' ' VAL . 2.8 p -165.78 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.507 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . 0.531 HD22 ' OE1' ' A' ' 236' ' ' GLU . 18.6 mt -85.53 157.82 20.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.608 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -150.37 147.89 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.764 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . 0.692 HD11 ' CH2' ' A' ' 173' ' ' TRP . 29.5 mt -149.45 134.05 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.26 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.417 ' OE1' ' OE1' ' A' ' 205' ' ' GLN . 7.3 tt0 -142.32 130.28 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.947 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 47.1 t -132.66 136.66 55.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.163 179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . 0.764 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 10.7 t-80 -126.55 141.61 51.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.933 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' TYR . . . . . 0.616 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 48.3 t80 -145.58 87.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.304 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.4 t80 -100.08 87.74 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' GLU . . . . . 0.797 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 52.0 tt0 -129.48 52.22 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.346 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . 0.797 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.7 t0 114.8 2.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.422 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.72 -129.12 1.08 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -172.8 99.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.09 129.19 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' GLN . . . . . 0.702 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 3.7 tt0 -136.84 154.15 50.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.588 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.8 tt -122.25 87.2 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.691 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . 0.569 ' CG2' ' NE2' ' A' ' 205' ' ' GLN . 12.2 t -90.1 122.25 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 19.8 m -149.55 147.25 27.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.813 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -157.85 145.15 18.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.157 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . 0.549 ' NZ ' ' O ' ' B' ' 482' ' ' THR . 51.1 tttp -135.49 129.03 32.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.885 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 211' ' ' ASP . 46.1 p-10 -103.57 129.83 50.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.216 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.0 tt -127.1 154.89 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.913 0.387 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -150.2 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.285 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' ASP . . . . . 0.643 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 42.9 t0 -118.84 166.11 13.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.679 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 1.059 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 70.7 m -117.84 103.41 9.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.429 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' VAL . . . . . 1.155 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 53.2 t -91.93 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.666 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . 1.045 ' HA ' ' O ' ' A' ' 185' ' ' THR . 0.0 OUTLIER -102.65 128.05 49.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 1.076 HG23 ' HB2' ' A' ' 186' ' ' ALA . 75.6 t -86.03 137.56 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.607 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 42.7 t -131.03 -99.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.3 t -100.2 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.558 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -86.8 -62.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 81.7 t -70.06 -24.7 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.543 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -73.97 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.497 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.459 HG22 ' CE2' ' A' ' 228' ' ' PHE . 24.9 m -54.63 -36.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.449 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.57 -57.08 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -57.11 -30.52 64.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.391 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 231' ' ' ILE . 94.6 mt-10 -67.6 -38.77 84.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.459 ' CE2' HG22 ' A' ' 224' ' ' THR . 14.6 m-85 -67.77 -53.95 23.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.358 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.9 mm -52.13 -27.34 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.387 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -74.87 -36.71 62.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.326 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 227' ' ' GLU . 1.3 mp -67.56 -41.17 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.438 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 177' ' ' TRP . 54.0 mt -70.02 -44.53 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.428 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.08 -46.97 82.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.51 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -69.64 -43.93 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.12 -51.96 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.416 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' GLU . . . . . 0.531 ' OE1' HD22 ' A' ' 192' ' ' LEU . 10.4 tp10 -60.18 -44.13 95.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.437 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' ASN . . . . . 0.44 HD22 ' NH1' ' B' ' 544' ' ' ARG . 5.1 m120 -60.03 -40.22 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.404 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.554 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -68.46 -44.39 74.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.503 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 240' ' ' GLN . . . . . 0.567 ' NE2' HD11 ' B' ' 546' ' ' ILE . 0.8 OUTLIER -68.23 -38.95 82.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.505 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 19.7 m -61.45 -45.76 92.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.67 71.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . 0.405 ' CD1' HD12 ' A' ' 194' ' ' ILE . 50.4 mt -69.16 -47.55 73.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.69 -34.18 73.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.575 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -66.93 -42.89 84.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . 0.701 HD21 ' NZ ' ' B' ' 481' ' ' LYS . 4.2 m120 -62.16 -34.57 76.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 247' ' ' TYR . . . . . 0.539 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.4 OUTLIER -64.94 -31.93 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.568 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -73.19 -50.84 20.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.598 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 253' ' ' THR . 16.0 m -64.84 -34.83 79.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.519 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 37.0 mtt -72.83 -14.54 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 1.9 p -112.94 -10.17 13.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 252' ' ' ASP . . . . . 0.888 ' O ' ' OG1' ' A' ' 253' ' ' THR . 65.4 t0 -132.09 47.77 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 253' ' ' THR . . . . . 0.888 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 29.7 m 175.7 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 15.1 m -53.57 -61.18 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.566 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -47.69 -57.58 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.582 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.14 -11.8 33.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.531 ' HB2' HH22 ' C' ' 636' ' ' ARG . . . -87.24 -18.24 30.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.538 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -78.02 -91.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.634 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 259' ' ' ARG . . . . . 0.497 ' HD2' ' CH2' ' B' ' 448' ' ' TRP . 15.0 ptm180 -98.67 174.46 6.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.426 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 260' ' ' ARG . . . . . 0.53 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 11.8 mmm180 -109.2 153.21 24.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.571 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -83.73 -11.24 57.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.444 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 262' ' ' LEU . 1.2 pp -163.63 133.26 3.1 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.522 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 263' ' ' PRO . . . . . 0.727 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.3 Cg_exo -43.93 135.45 7.77 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.88 2.387 . . . . 0.0 112.022 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 264' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 265' ' ' THR . 5.0 m -37.84 -38.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 265' ' ' THR . . . . . 0.466 ' N ' HG23 ' A' ' 264' ' ' VAL . 4.2 m -64.2 -5.41 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 266' ' ' ARG . . . . . 0.68 ' N ' ' O ' ' A' ' 263' ' ' PRO . 68.3 ttt180 54.11 55.59 8.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 4.2 t 173.29 114.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.9 mttt -16.86 131.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 269' ' ' ILE . . . . . 0.434 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 9.8 tt -50.26 158.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.802 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.5 OUTLIER -117.13 58.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 271' ' ' TRP . . . . . 0.592 ' C ' ' O ' ' A' ' 270' ' ' ASP . 80.3 m95 -21.42 -55.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' B' ' 506' ' ' SER . 12.3 m120 -44.52 -25.63 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . 1.241 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 97.9 mttt -99.94 -7.72 24.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.65 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 274' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 274' ' ' ILE . 2.0 mp -103.17 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . 0.724 ' O ' ' CB ' ' A' ' 276' ' ' SER . 74.2 mt -111.1 44.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.536 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . 1.32 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.2 p 141.92 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.582 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 1.241 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.2 t80 -30.97 43.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.622 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 278' ' ' LYS . . . . . 1.32 ' N ' ' O ' ' A' ' 276' ' ' SER . 35.7 ttmt -107.72 80.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.566 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 1.079 ' O ' ' O ' ' A' ' 280' ' ' GLY . 15.9 mm 54.22 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 1.079 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 24.4 pttm . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.515 -179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 302' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 13.2 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -42.81 -51.24 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.485 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . 0.508 ' H ' ' CD ' ' B' ' 304' ' ' GLN . 27.3 mp0 -55.34 -34.11 63.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.483 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' B' ' 302' ' ' SER . 25.0 mt-30 -60.74 -49.1 78.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.406 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 49.5 tp -57.26 -40.62 78.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.391 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.93 -40.84 95.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.339 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 308' ' ' CYS . . . . . 0.414 ' SG ' HD22 ' A' ' 38' ' ' LEU . 95.9 m -68.09 -37.19 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.389 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.716 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.18 -42.12 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.33 -38.43 84.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.381 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.488 ' OD1' ' NH1' ' B' ' 315' ' ' ARG . 43.7 t0 -68.27 -33.65 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.385 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.79 -43.7 75.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.421 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.3 mmm -64.39 -25.67 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.3 -12.32 58.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.383 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 315' ' ' ARG . . . . . 0.603 HH11 ' HG2' ' B' ' 315' ' ' ARG . 12.0 mmt-85 -100.07 -46.93 5.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.1 mt -63.57 147.7 95.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.6 128.45 21.0 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.783 2.322 . . . . 0.0 112.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 318' ' ' PRO . . . . . 0.484 ' HA ' HG12 ' B' ' 321' ' ' ILE . 42.2 Cg_endo -71.52 -3.98 14.1 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.89 2.393 . . . . 0.0 112.062 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -80.64 -17.84 49.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -123.89 39.51 3.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 321' ' ' ILE . . . . . 0.484 HG12 ' HA ' ' B' ' 318' ' ' PRO . 4.6 mm -63.4 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.588 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.71 -60.84 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.524 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -54.59 -54.42 41.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -54.67 -55.75 26.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 38.3 tp -47.16 -48.95 23.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.43 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.05 -49.72 74.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.444 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -62.33 -40.75 97.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.459 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' LEU . . . . . 0.716 HD21 ' HB1' ' B' ' 309' ' ' ALA . 52.6 tp -55.52 -41.09 72.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.451 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.46 -41.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.388 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -38.02 74.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.1 mt -71.22 -29.05 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.58 84.61 9.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.432 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.09 -5.56 15.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.701 2.267 . . . . 0.0 112.114 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.37 -6.41 56.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 78.8 mt -119.06 20.88 12.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.606 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' CYS . . . . . 0.581 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 26.9 p -64.04 -55.92 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.581 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 10.7 tm-20 -60.28 -50.49 73.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.536 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.73 -36.13 73.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.532 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . 0.43 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 66.5 mt -79.1 -28.64 43.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 33.7 mt -81.51 12.42 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.555 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 63.3 p -144.13 -3.65 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.561 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.6 m -119.36 -15.49 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.569 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.88 120.07 56.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.456 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -87.83 128.63 35.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.648 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.436 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 3.5 pt20 -129.35 165.89 29.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 81.0 Cg_exo -44.41 125.32 5.87 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.829 2.353 . . . . 0.0 112.08 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' LEU . . . . . 0.479 HD21 HD11 ' B' ' 451' ' ' ILE . 95.4 mt -66.8 122.54 17.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.667 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -88.62 148.79 23.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.389 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.2 tt -102.96 136.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.77 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' ALA . . . . . 0.729 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.62 157.64 33.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.485 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -114.31 143.32 45.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.611 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.965 ' O ' ' N ' ' B' ' 356' ' ' GLY . 56.3 t0 -111.93 81.36 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.1 mttp -37.18 -62.98 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.609 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 94.5 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.5 t -92.98 -25.45 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.638 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.965 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.7 70.54 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.884 -0.887 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' B' ' 352' ' ' ASP . 45.0 mmtm -115.11 154.91 28.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' ASP . . . . . 0.729 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 35.8 p30 -94.77 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.623 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 31.3 p90 -139.68 135.75 33.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 70.4 mt -69.2 156.63 38.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.513 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.1 mt -108.55 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.596 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 362' ' ' CYS . . . . . 0.876 ' H ' HD21 ' B' ' 365' ' ' ASN . 26.6 p -168.2 168.59 11.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.573 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 363' ' ' ASP . . . . . 0.644 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.9 p-10 -75.4 -10.35 59.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 364' ' ' TYR . . . . . 0.483 ' HB2' HG11 ' B' ' 431' ' ' VAL . 96.0 m-85 -88.38 -18.17 28.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.475 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 365' ' ' ASN . . . . . 0.876 HD21 ' H ' ' B' ' 362' ' ' CYS . 0.1 OUTLIER -123.22 24.73 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 366' ' ' ARG . . . . . 0.564 HH22 HD22 ' B' ' 340' ' ' LEU . 46.8 ttp180 -119.99 129.83 54.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.15 99.47 6.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.79 1.75 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -126.27 8.69 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.848 0.356 . . . . 0.0 110.585 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 370' ' ' SER . . . . . 1.006 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 82.5 p -122.33 161.32 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 371' ' ' TYR . . . . . 1.103 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 1.6 m-85 -118.3 150.78 38.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.549 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -98.77 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.634 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 373' ' ' SER . . . . . 0.586 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 98.6 p -79.57 133.8 58.87 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.794 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 374' ' ' PRO . . . . . 0.523 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 3.3 Cg_exo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.848 2.365 . . . . 0.0 112.189 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -85.94 -66.26 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 31.3 t -83.15 -18.63 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 377' ' ' ASN . . . . . 0.586 ' HA ' ' O ' ' B' ' 373' ' ' SER . 55.5 t30 70.28 40.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -141.53 137.92 32.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 379' ' ' TYR . . . . . 1.103 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.1 OUTLIER -65.77 140.41 58.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.596 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . 0.767 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.95 -60.41 6.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 1.006 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.48 120.04 7.18 Favored 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 123.022 2.482 . . . . 0.0 112.299 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -41.56 79.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.949 2.433 . . . . 0.0 112.308 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.778 ' HB3' ' CE1' ' B' ' 379' ' ' TYR . 1.1 tp -84.56 177.59 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.513 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.639 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.97 65.99 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 386' ' ' GLY . . . . . 0.76 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.21 151.75 47.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -64.01 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.796 0.331 . . . . 0.0 110.555 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -132.26 148.58 70.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.568 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.98 150.75 49.31 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.782 2.321 . . . . 0.0 112.15 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.71 142.93 17.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.611 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.6 -43.79 5.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 66.6 mtp180 -67.9 -37.77 82.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.93 -42.47 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.3 ttp180 -55.32 -36.8 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.394 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.47 -46.65 85.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.337 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 45.6 tp -64.38 -31.99 73.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.328 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -67.77 -38.07 82.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.372 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.06 -40.29 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.397 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.74 -36.96 79.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.358 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.17 -41.84 94.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 401' ' ' ASN . . . . . 0.429 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 58.4 m-80 -63.99 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.34 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 402' ' ' ASN . . . . . 0.456 ' O ' ' NE2' ' B' ' 406' ' ' GLN . 27.8 t-20 -72.13 -40.4 68.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.36 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -47.99 78.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.387 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.27 -29.25 67.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.443 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 32.8 m-20 -54.64 -38.81 67.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . 0.578 ' O ' HD13 ' B' ' 410' ' ' LEU . 1.0 OUTLIER -77.04 -32.92 57.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.332 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -69.76 -18.61 63.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 408' ' ' ARG . . . . . 0.574 ' NH1' ' O ' ' B' ' 415' ' ' GLY . 29.1 ttp180 -83.81 -35.54 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.535 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 409' ' ' ASP . . . . . 0.542 ' OD2' ' NZ ' ' C' ' 604' ' ' LYS . 16.8 t70 -85.18 -8.9 58.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.568 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 410' ' ' LEU . . . . . 0.679 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 4.8 mp -95.83 -17.88 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.571 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 411' ' ' TYR . . . . . 0.727 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.01 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.55 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 73.1 m-85 -100.65 -25.92 13.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.545 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 413' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 96.9 mt-10 63.5 24.39 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.616 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.71 -154.51 25.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 415' ' ' GLY . . . . . 0.574 ' O ' ' NH1' ' B' ' 408' ' ' ARG . . . 76.37 -163.48 52.95 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.479 ' HA ' HH11 ' B' ' 408' ' ' ARG . 20.9 t -128.64 153.72 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.481 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 37.7 t -143.58 148.52 36.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.722 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.2 t -148.17 143.95 27.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.87 130.25 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.861 0.362 . . . . 0.0 110.737 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.545 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 53.8 t80 -128.48 132.47 48.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.313 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.68 158.35 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.749 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 422' ' ' TRP . . . . . 0.936 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.9 p-90 -154.45 110.6 3.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.528 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -43.06 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.633 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 424' ' ' LEU . . . . . 0.467 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 2.6 tp -127.86 -147.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.604 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . 0.467 ' H ' ' CG ' ' B' ' 424' ' ' LEU . 64.4 t0 -87.32 -49.85 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.54 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -129.79 30.77 4.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.62 2.56 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.72 154.07 4.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.741 0.305 . . . . 0.0 110.577 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . 0.936 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -123.97 172.83 8.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.64 34.99 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 431' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.04 126.37 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.32 113.69 40.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.563 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' B' ' 450' ' ' SER . 46.5 mt -102.83 143.14 32.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 434' ' ' ILE . . . . . 0.592 ' HB ' ' HB3' ' B' ' 450' ' ' SER . 30.4 mt -148.73 119.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -122.51 127.55 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.632 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 436' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.18 119.58 15.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.88 138.2 40.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.635 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.13 179.48 45.29 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -50.68 128.03 19.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.849 0.357 . . . . 0.0 110.557 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.6 9.76 75.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 441' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' C' ' 677' ' ' TYR . 3.7 p -110.43 -4.24 15.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.576 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -89.25 153.89 20.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.547 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 443' ' ' LYS . . . . . 0.615 ' H ' ' CD ' ' B' ' 443' ' ' LYS . 7.1 mptt -56.89 -43.84 81.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 65.1 mt -95.07 135.92 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.752 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.75 154.75 20.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.7 152.45 24.56 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.1 m -149.51 130.7 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 448' ' ' TRP . . . . . 0.543 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.6 t-105 -114.83 116.26 28.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -109.54 127.18 54.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 450' ' ' SER . . . . . 0.592 ' HB3' ' HB ' ' B' ' 434' ' ' ILE . 0.6 OUTLIER -115.93 122.74 46.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.912 -179.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 451' ' ' ILE . . . . . 0.479 HD11 HD21 ' B' ' 347' ' ' LEU . 51.3 mt -127.88 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.206 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 452' ' ' HIS . . . . . 0.534 ' NE2' ' OE2' ' B' ' 521' ' ' GLU . 1.4 m170 -108.63 132.41 53.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.862 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 57.5 t -128.69 95.59 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.281 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.7 p -96.65 153.6 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -131.83 102.23 5.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.312 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 456' ' ' VAL . . . . . 0.429 HG22 ' CE2' ' B' ' 467' ' ' TYR . 61.4 t -79.08 139.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -123.51 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.476 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 458' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 84.2 tt0 -40.3 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.664 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 459' ' ' LYS . . . . . 0.599 ' HB2' ' O ' ' B' ' 464' ' ' THR . 52.6 mttp -109.33 141.97 40.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -48.99 -54.14 16.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.635 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 54.3 p -126.75 146.54 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 462' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.32 -12.77 48.08 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 59.15 -0.17 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.722 0.296 . . . . 0.0 110.542 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.599 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 0.2 OUTLIER -82.29 123.68 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.419 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 465' ' ' ALA . . . . . 0.47 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.75 151.86 33.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.75 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -92.9 126.58 38.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.335 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 467' ' ' TYR . . . . . 0.429 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.6 m-85 -103.17 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.011 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -135.84 86.1 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.186 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 469' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' B' ' 470' ' ' THR . 0.5 OUTLIER -82.09 157.54 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.505 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 470' ' ' THR . . . . . 0.401 ' H ' ' HG ' ' B' ' 469' ' ' LEU . 19.1 m -157.86 62.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.06 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . 0.49 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 15.3 p -64.61 174.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.152 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 472' ' ' THR . . . . . 0.479 HG22 ' C ' ' B' ' 471' ' ' SER . 0.2 OUTLIER -168.76 87.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.151 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 473' ' ' VAL . . . . . 0.47 HG11 ' CH2' ' B' ' 448' ' ' TRP . 88.3 t -69.74 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 474' ' ' MET . . . . . 0.452 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 3.0 ttt -124.74 96.02 4.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.13 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 475' ' ' LEU . . . . . 0.732 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.9 OUTLIER -86.69 131.12 34.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.911 -179.594 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 476' ' ' TRP . . . . . 0.732 ' N ' HD23 ' B' ' 475' ' ' LEU . 3.6 t-105 -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.254 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 40.3 mt -137.3 124.67 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.796 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 478' ' ' GLN . . . . . 0.516 ' NE2' ' OD1' ' B' ' 488' ' ' ASN . 49.7 tt0 -138.2 158.17 44.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.471 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 479' ' ' THR . . . . . 0.508 HG23 ' O ' ' B' ' 479' ' ' THR . 10.5 t -163.46 127.43 2.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.643 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 480' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.5 m-20 -108.21 73.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 9.1 mtmp? -107.58 146.67 31.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 482' ' ' THR . . . . . 0.549 ' O ' ' NZ ' ' A' ' 210' ' ' LYS . 19.5 m -57.29 -45.95 83.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.69 -25.22 68.78 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' N ' ' B' ' 486' ' ' THR . 7.5 t -125.97 14.91 7.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 0.0 110.547 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.38 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 486' ' ' THR . . . . . 0.448 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.1 m -126.1 113.96 17.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 0.0 110.47 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 487' ' ' MET . . . . . 0.421 ' HB3' HG22 ' B' ' 479' ' ' THR . 6.0 ttp -125.12 118.04 25.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 488' ' ' ASN . . . . . 0.516 ' OD1' ' NE2' ' B' ' 478' ' ' GLN . 60.6 m-80 -118.95 123.98 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.648 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 489' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 50.8 tp -131.67 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.579 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.44 -163.82 21.76 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 491' ' ' GLY . . . . . 0.635 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.88 -142.61 11.03 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 492' ' ' SER . . . . . 0.635 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 76.4 p 163.2 135.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.787 0.327 . . . . 0.0 110.52 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 493' ' ' LEU . . . . . 0.545 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.56 149.47 30.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.563 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 494' ' ' THR . . . . . 0.42 ' O ' ' OD2' ' A' ' 201' ' ' ASP . 58.1 m -127.1 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.504 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -150.02 128.72 12.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.82 160.56 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 26.6 ttt -160.06 130.48 5.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.617 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -133.54 141.59 47.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -172.21 145.81 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.597 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 45.2 p-10 -91.26 125.21 35.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -120.71 160.16 23.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.6 m -94.27 131.84 39.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.552 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.64 122.45 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.665 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -142.97 -177.27 5.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.568 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.94 -35.8 77.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 506' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 272' ' ' ASN . 78.1 p -83.69 -19.79 34.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 17.8 t -135.5 73.42 62.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.56 -172.57 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.807 2.338 . . . . 0.0 112.145 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -58.81 -62.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 71.4 mt -42.75 -48.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.632 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.18 72.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.596 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -48.18 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.01 -33.65 56.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.624 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.55 74.27 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -57.36 -44.33 84.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.75 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.14 -52.53 62.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.623 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 517' ' ' VAL . . . . . 0.43 ' O ' ' OE1' ' B' ' 521' ' ' GLU . 60.8 t -55.47 -47.24 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -57.89 -51.72 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.763 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -63.47 -37.54 87.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.708 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 2.3 tpt -64.39 -49.43 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 521' ' ' GLU . . . . . 0.534 ' OE2' ' NE2' ' B' ' 452' ' ' HIS . 1.7 mp0 -62.58 -45.27 93.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.713 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.92 -41.44 78.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.75 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.6 mt -74.45 -24.37 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.565 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 525' ' ' ARG . . . . . 0.529 ' HG2' HH11 ' B' ' 525' ' ' ARG . 33.6 ttt-85 -68.72 -27.67 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.709 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 36.6 t -84.97 -38.74 18.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 73.1 p -66.06 -35.82 81.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.614 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.686 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 63.1 mt -64.94 -42.31 94.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.71 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -68.57 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.622 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . 0.953 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.8 mt-10 -74.4 -54.4 7.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.644 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.43 -61.47 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 532' ' ' TYR . . . . . 0.686 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 16.9 m-85 -50.29 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.558 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 533' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.8 40.53 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.559 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . 0.953 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.09 -87.14 0.08 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' B' ' 536' ' ' THR . 0.8 OUTLIER -56.89 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.759 0.314 . . . . 0.0 110.503 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.647 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 43.7 p -34.77 -57.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -50.44 -53.23 31.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.583 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -53.2 -44.93 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.572 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 539' ' ' ILE . . . . . 0.619 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 33.7 mm -61.73 -36.04 71.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.44 -42.01 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -69.76 -17.13 63.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.34 48.01 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.6 mt -68.13 -51.4 46.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 110.475 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 544' ' ' ARG . . . . . 0.796 ' HG2' ' H ' ' B' ' 545' ' ' SER . 2.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.652 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 545' ' ' SER . . . . . 0.796 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 38.5 t -142.18 137.86 31.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 546' ' ' ILE . . . . . 0.567 HD11 ' NE2' ' A' ' 240' ' ' GLN . 97.4 mt -69.1 -43.48 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.514 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -82.91 138.59 33.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.637 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 548' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.46 122.13 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.549 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.52 112.73 31.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.3 Cg_exo -46.61 80.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.852 2.368 . . . . 0.0 112.071 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.6 p-10 -25.31 145.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.573 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 552' ' ' ASN . . . . . 0.44 ' O ' ' OD1' ' B' ' 552' ' ' ASN . 10.2 p30 -129.91 116.19 18.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -85.27 -24.8 27.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.697 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -52.57 -64.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.6 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -45.15 -56.69 4.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.689 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -57.55 -46.9 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.757 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.87 -29.64 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.795 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . . . . . . . . . 60.0 tp -77.78 -30.37 51.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -73.5 -36.39 65.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . 0.44 HH11 ' HG2' ' B' ' 560' ' ' ARG . 57.9 ttt-85 -58.21 -40.55 81.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 561' ' ' GLU . . . . . 0.552 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.0 mm-40 -67.79 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.727 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.897 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 58.9 tp -49.1 -40.69 33.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.657 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 563' ' ' SER . . . . . 0.799 ' O ' ' N ' ' B' ' 565' ' ' VAL . 68.0 m -61.18 -76.37 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.72 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 12.5 pt20 -36.68 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.897 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 18.1 t -72.12 -42.68 67.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.6 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' B' ' 563' ' ' SER . 6.2 tp -81.46 -35.59 30.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 24.7 m -70.26 -19.62 63.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.569 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -117.53 6.65 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.647 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.98 -141.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.483 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.872 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 5.3 tt0 139.82 128.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.641 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 571' ' ' ILE . . . . . 0.872 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 55.6 mt . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 79.0 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.3 m 62.12 5.94 1.63 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.556 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -49.86 -37.76 32.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.508 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 604' ' ' LYS . . . . . 0.542 ' NZ ' ' OD2' ' B' ' 409' ' ' ASP . 79.0 tttt -69.71 -52.23 27.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.532 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -55.07 -28.91 55.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -75.68 -53.61 8.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.564 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 607' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' C' ' 607' ' ' MET . 6.8 tmm? -72.82 -36.82 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.514 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -56.75 -16.04 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.606 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 609' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.39 -50.67 13.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.639 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 610' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' C' ' 610' ' ' LEU . 4.0 mt -66.28 1.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.547 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 611' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.3 tttm -102.07 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -70.36 -4.27 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 613' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.04 21.85 58.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 614' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.8 m-20 -63.83 49.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 0.0 110.588 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 615' ' ' LEU . . . . . 0.94 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.8 tm? -44.99 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.575 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 616' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' C' ' 614' ' ' ASP . 62.5 m-20 -77.75 -27.51 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.516 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 617' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.52 -49.85 10.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 618' ' ' VAL . . . . . 0.604 HG21 HD22 ' C' ' 654' ' ' LEU . 10.7 p -62.81 -28.42 44.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.573 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 619' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.3 tttp -66.22 -21.88 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 620' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.0 t0 -75.33 -45.39 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.514 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 14.6 t -57.73 -27.87 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.562 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 623' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.75 6.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -64.82 -76.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 625' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.9 82.37 0.1 OUTLIER Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 626' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.9 pt-20 34.23 95.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.85 0.357 . . . . 0.0 110.526 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 627' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 96.9 m-20 -140.98 62.66 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.654 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 628' ' ' VAL . . . . . 0.52 HG21 ' H ' ' C' ' 658' ' ' GLY . 3.3 m -121.94 76.89 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.536 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 629' ' ' ASN . . . . . 0.426 ' H ' ' H ' ' C' ' 630' ' ' ARG . 35.8 t30 -173.0 5.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.673 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 630' ' ' ARG . . . . . 0.664 HH11 ' CG ' ' C' ' 630' ' ' ARG . 0.0 OUTLIER -79.09 166.85 21.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.495 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 631' ' ' THR . . . . . 0.504 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.2 OUTLIER -82.03 87.64 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.635 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 632' ' ' LEU . . . . . 0.504 ' C ' ' O ' ' C' ' 631' ' ' THR . 43.8 tp -31.32 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.608 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.527 ' OE2' ' NH1' ' A' ' 260' ' ' ARG . 11.6 tp10 -71.7 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.68 -11.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 635' ' ' GLY . . . . . 0.523 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.47 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 636' ' ' ARG . . . . . 0.635 HH21 ' CG2' ' A' ' 253' ' ' THR . 99.1 mtt180 -127.92 164.9 21.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.563 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 637' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' C' ' 639' ' ' LEU . 11.3 mmtp -108.41 156.99 37.64 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.576 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 638' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 57.0 Cg_endo -73.63 24.96 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.805 2.337 . . . . 0.0 112.136 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 639' ' ' LEU . . . . . 0.555 HD11 HD13 ' C' ' 655' ' ' LEU . 0.6 OUTLIER -117.68 -16.31 10.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.59 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -75.23 -43.87 49.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.532 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.64 -36.03 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.521 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.92 -44.92 75.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.47 62.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD1' ' OE2' ' C' ' 678' ' ' GLU . 4.8 t70 -60.64 -35.7 76.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 645' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 38.5 t -160.87 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.02 34.11 4.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 647' ' ' GLN . . . . . 0.575 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 88.0 mt-30 51.66 4.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.523 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 648' ' ' LEU . . . . . 0.944 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.57 7.02 5.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -115.8 -12.54 11.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.595 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 650' ' ' ILE . . . . . 0.553 ' CG2' HD21 ' C' ' 654' ' ' LEU . 1.0 OUTLIER -87.58 -36.16 9.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.599 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 1.082 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.33 -52.93 61.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.557 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 652' ' ' GLU . . . . . 0.785 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 56.8 mm-40 -56.13 -22.61 29.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 653' ' ' PHE . . . . . 0.98 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.0 OUTLIER -75.88 -97.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.509 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 654' ' ' LEU . . . . . 0.851 HD23 ' H ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.38 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 655' ' ' LEU . . . . . 0.98 ' N ' ' O ' ' C' ' 653' ' ' PHE . 57.9 tp -102.93 -47.91 4.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.558 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.22 -25.37 63.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.82 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 658' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.38 -109.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 659' ' ' ALA . . . . . 0.713 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.1 33.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.788 0.328 . . . . 0.0 110.524 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 660' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' C' ' 662' ' ' ASN . 99.8 m-20 -57.36 10.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 661' ' ' ILE . . . . . 0.713 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.8 tt -65.98 1.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 662' ' ' ASN . . . . . 1.1 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.3 m-20 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.13 -33.65 0.28 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 664' ' ' PRO . . . . . 1.1 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 80.7 Cg_exo -46.93 120.82 4.44 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.889 2.393 . . . . 0.0 112.14 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -125.88 -50.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -78.84 -16.13 57.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 667' ' ' HIS . . . . . 0.523 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 38.4 m80 -80.53 -6.23 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.528 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 40.52 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 669' ' ' ILE . . . . . 0.445 HG22 ' O ' ' C' ' 667' ' ' HIS . 10.7 tt -176.86 147.65 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.562 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 670' ' ' THR . . . . . 0.407 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.7 10.14 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.547 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 671' ' ' PRO . . . . . 0.494 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.48 -30.52 12.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.824 2.349 . . . . 0.0 112.122 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.744 HD23 ' C ' ' C' ' 672' ' ' LEU . 8.0 tt -45.39 -49.01 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 673' ' ' LEU . . . . . 0.627 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 15.8 mt -67.87 -27.85 67.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 674' ' ' SER . . . . . 0.494 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 17.2 p -51.76 -40.87 61.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.517 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 675' ' ' ALA . . . . . 0.42 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.54 -30.07 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 676' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 10.8 t -47.17 -66.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 677' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' B' ' 441' ' ' SER . 0.3 OUTLIER -77.83 39.28 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.573 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 678' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' C' ' 644' ' ' ASP . 37.0 tp10 -124.52 -28.65 3.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.539 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.21 -11.33 72.37 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 19.3 m170 -71.94 -53.51 12.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.803 0.335 . . . . 0.0 110.59 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 681' ' ' VAL . . . . . 0.775 ' O ' HG22 ' C' ' 684' ' ' VAL . 9.2 m 43.27 -4.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.628 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.4 t -67.42 -24.26 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -90.98 -48.67 6.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.556 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 684' ' ' VAL . . . . . 0.775 HG22 ' O ' ' C' ' 681' ' ' VAL . 4.0 m -41.91 -34.88 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 685' ' ' LYS . . . . . 0.826 ' O ' HD12 ' C' ' 688' ' ' LEU . 63.8 tttm -62.56 -73.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 686' ' ' LEU . . . . . 0.502 ' N ' HD22 ' C' ' 686' ' ' LEU . 4.4 mm? -62.95 1.86 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 687' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' C' ' 685' ' ' LYS . 28.8 tp -81.9 -70.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 688' ' ' LEU . . . . . 1.337 HD13 ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.72 -21.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.512 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 689' ' ' SER . . . . . 1.337 ' N ' HD13 ' C' ' 688' ' ' LEU . 6.6 m -55.75 -21.54 19.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.604 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -99.62 -6.27 27.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 692' ' ' ALA . . . . . 0.567 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.613 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.0 t0 33.11 -128.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -152.52 -23.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 28.8 m -156.57 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.593 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.41 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -140.13 23.53 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.67 142.77 20.36 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 699' ' ' PRO . . . . . 0.71 ' O ' ' CG ' ' C' ' 700' ' ' ASP . 76.8 Cg_exo -44.82 -27.75 2.59 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.815 2.343 . . . . 0.0 112.155 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 700' ' ' ASP . . . . . 0.71 ' CG ' ' O ' ' C' ' 699' ' ' PRO . 31.2 m-20 157.74 -112.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 701' ' ' GLY . . . . . 0.562 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.76 0.33 89.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 702' ' ' LEU . . . . . 0.637 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.5 tt -53.89 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 703' ' ' THR . . . . . 0.885 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 92.5 m 16.26 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.529 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 704' ' ' ALA . . . . . 0.549 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.65 -18.63 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 705' ' ' LEU . . . . . 0.562 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.7 tp -62.88 -75.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -80.74 15.2 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.478 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . 0.885 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.44 -70.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.504 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 708' ' ' THR . . . . . 0.604 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.4 m -139.83 -142.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.62 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 709' ' ' ASP . . . . . 0.604 ' H ' HG22 ' C' ' 708' ' ' THR . 53.2 p-10 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.562 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -72.55 151.89 42.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -71.62 -20.46 61.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.525 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.23 -60.36 3.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -37.62 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.57 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -52.09 -29.93 23.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.16 14.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.554 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 716' ' ' LEU . . . . . 0.842 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.0 98.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 717' ' ' LEU . . . . . 0.842 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 19.0 mt 124.19 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 718' ' ' GLN . . . . . 0.404 ' CB ' ' O ' ' C' ' 717' ' ' LEU . 3.4 mt-30 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.558 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.725 HG13 ' O ' ' A' ' 8' ' ' VAL . 9.3 p -54.09 94.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.786 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.9 p -45.87 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.618 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' VAL . 97.9 m-20 -64.93 -33.67 76.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.46 -39.27 86.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.545 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.0 mt-10 -67.6 -40.97 84.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.626 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.2 mttt -63.69 -35.84 81.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.4 t -65.29 -43.82 95.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.502 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.409 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.3 mtm180 -61.44 -39.78 92.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.734 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.7 mt -65.37 -47.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -34.95 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.555 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.62 75.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.638 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.92 -41.34 91.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.554 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -65.16 -44.91 87.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.68 -46.45 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.594 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.9 p -75.97 8.44 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.74 15.34 9.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.99 81.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.535 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.5 Cg_endo -68.25 167.52 21.86 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.814 2.343 . . . . 0.0 112.08 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.403 ' HB3' ' NE ' ' A' ' 172' ' ' ARG . 48.4 Cg_endo -70.92 116.23 4.59 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.743 2.295 . . . . 0.0 112.093 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.12 21.49 35.47 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 42.1 mt-10 -149.34 37.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -73.87 -48.91 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -57.0 -57.43 12.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.612 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.543 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 44.1 mp0 -44.47 -54.44 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.1 t -60.86 -42.38 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.646 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 36.6 t80 -59.3 -50.82 72.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.05 -37.93 81.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.1 -42.05 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 32' ' ' VAL . 92.2 t -67.1 -41.81 87.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -56.36 -54.82 41.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -34.73 72.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.2 mt -73.25 -49.75 26.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 tp -61.75 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 46.62 49.73 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.53 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 27.9 t-20 -168.7 79.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -51.85 -37.92 53.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -54.18 -44.21 71.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.544 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 94.2 mt -77.25 -30.81 54.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.6 tp -62.77 -38.75 91.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.552 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.19 -35.54 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.59 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -40.9 -59.82 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.608 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.89 48.67 0.92 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.18 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 0.0 110.569 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.47 87.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.33 -36.94 64.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.53 -54.37 12.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.575 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.54 -56.58 5.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.65 -72.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.582 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.2 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.04 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -46.96 -30.91 2.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.554 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.3 ttp -68.92 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.534 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.4 p30 -67.84 10.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.589 ' O ' ' N ' ' A' ' 63' ' ' THR . 7.9 mm-40 -124.61 24.75 7.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.91 44.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.49 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 26.2 m -58.81 111.35 3.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.603 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -75.73 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.858 2.372 . . . . 0.0 112.178 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.616 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.7 p -109.41 165.98 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.521 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.616 ' N ' HG22 ' A' ' 65' ' ' VAL . 87.1 tttt -125.14 103.95 8.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.9 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.28 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.641 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.9 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.1 tm-20 -13.21 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.584 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.52 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.09 0.32 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.787 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.48 14.77 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.583 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.614 ' C ' ' O ' ' A' ' 70' ' ' TYR . 48.5 t0 20.13 39.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.523 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 1.059 ' O ' ' N ' ' A' ' 74' ' ' VAL . 30.8 t70 -98.83 19.37 15.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 71.6 mm-40 -0.19 50.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.059 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.7 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.628 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.718 ' N ' HG22 ' A' ' 74' ' ' VAL . 46.9 mt -113.35 152.26 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.542 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.3 mt -104.04 105.49 18.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.7 p -130.13 -176.88 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.82 -31.25 45.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' ' 155' ' ' ILE . 96.1 m-70 -63.95 -23.62 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.549 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.22 15.63 50.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -85.45 100.04 11.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.792 0.329 . . . . 0.0 110.599 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.2 tp -49.64 -51.51 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.591 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.72 25.38 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -116.11 1.29 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.594 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.13 -15.73 9.37 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.672 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.4 168.73 9.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.88 0.372 . . . . 0.0 110.537 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 53.5 m-85 -114.54 -170.59 1.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.856 HD23 ' H ' ' A' ' 89' ' ' ASP . 0.5 OUTLIER -118.28 157.37 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.721 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.856 ' H ' HD23 ' A' ' 88' ' ' LEU . 19.0 t0 -139.3 89.01 12.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.432 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.505 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.0 Cg_endo -60.97 -36.73 81.5 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.916 2.41 . . . . 0.0 111.982 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.582 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 6.1 ttp180 -59.47 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.41 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.664 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.6 t-20 -76.51 -20.38 56.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.1 mtmp? 62.78 62.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.661 HD13 ' OD1' ' A' ' 92' ' ' ASN . 23.6 pt -146.43 154.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.61 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.83 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.9 t -92.62 133.01 36.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.71 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 39.4 p90 -140.15 136.62 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.492 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.68 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 33.7 ttpt -88.66 113.39 24.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.606 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.896 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.4 t80 -82.68 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.52 ' O ' ' O ' ' A' ' 102' ' ' ARG . 8.8 t70 -104.51 90.14 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.537 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.472 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.38 -67.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.598 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt -47.48 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.52 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.74 156.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -88.88 2.26 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.531 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -117.23 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.836 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 60.4 m -95.58 -164.12 1.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.588 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.858 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.74 54.49 0.28 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.83 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.49 -177.75 3.26 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.818 2.346 . . . . 0.0 112.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.2 tt0 -160.19 124.58 2.09 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.523 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -47.15 131.04 17.4 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.816 2.344 . . . . 0.0 112.013 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 10.0 tm-20 -122.91 102.46 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -75.51 88.41 2.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.605 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.5 p -46.93 164.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -76.05 -30.07 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.646 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.91 35.63 1.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.76 -59.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.533 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 38.3 tp -104.18 3.38 32.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.514 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.848 ' HZ2' HH21 ' A' ' 121' ' ' ARG . 10.7 mmpt? -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.484 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 118' ' ' LYS . 99.2 mm-40 -39.22 -55.92 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.561 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -62.58 -47.6 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.551 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.848 HH21 ' HZ2' ' A' ' 118' ' ' LYS . 5.3 tmm_? -53.83 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.565 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.576 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.5 m-20 -25.41 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.07 -67.18 0.46 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.6 m -51.08 -48.58 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.43 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.41 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.591 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.519 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 37.0 m -47.97 -46.2 32.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.442 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.42 34.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.76 -12.32 60.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.512 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.638 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.38 -32.72 74.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.604 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.69 -39.24 24.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.55 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.4 t80 -54.78 -38.8 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 134' ' ' ASP . 87.7 t -74.73 -40.54 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.446 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.7 mttt -76.12 25.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.587 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.0 m-20 -147.58 7.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.562 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.702 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.9 m80 -151.07 -21.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.54 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.3 m-85 -114.67 106.48 52.1 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.615 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.459 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.0 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.775 2.316 . . . . 0.0 112.09 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.53 50.07 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.64 12.62 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.6 ' HB2' HD21 ' A' ' 75' ' ' LEU . 59.0 m-85 -135.08 158.17 45.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.599 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.52 162.34 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.515 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 89.8 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.505 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.0 t -75.73 143.43 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.571 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.559 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.3 m-85 -120.21 124.27 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.568 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.61 0.37 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -123.85 167.36 14.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.53 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.7 t -107.55 115.42 30.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.598 HG22 ' OD2' ' A' ' 149' ' ' ASP . 13.0 mt -91.17 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.601 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.59 54.23 9.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.509 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.9 -62.81 4.16 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -53.75 129.8 34.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.649 ' H ' HG21 ' A' ' 181' ' ' ILE . 75.3 mt-30 -85.73 150.47 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.396 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.699 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.16 22.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.723 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.46 110.0 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.44 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.559 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.1 117.09 42.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.88 116.05 27.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.251 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 89.8 m -106.12 135.43 47.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.978 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 12.8 mt -122.76 137.72 55.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.225 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.527 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.35 151.92 51.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 111.027 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.747 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.214 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.679 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.7 p-80 -140.64 170.6 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 -179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.5 mm-40 -148.61 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.199 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.679 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.4 147.46 53.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.006 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.456 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.97 66.14 0.74 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.357 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.3 Cg_endo -60.75 -52.09 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.791 2.328 . . . . 0.0 112.109 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.475 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 97.6 m-20 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.84 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 52.7 m-85 70.09 80.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.569 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.84 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 18.8 p-90 158.81 127.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.723 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -136.01 162.34 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.339 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.85 163.15 29.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.586 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 25.5 ttp180 -165.73 136.69 3.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.794 0.331 . . . . 0.0 110.331 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' TRP . . . . . 0.747 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.3 t-105 -107.6 138.89 42.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.51 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 55.6 mtm180 -125.37 152.25 45.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.167 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.29 111.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 111.08 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.646 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.4 tt0 -116.39 124.73 50.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.119 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.7 m95 -120.63 116.91 26.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.91 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -98.63 119.78 37.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.353 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.699 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.0 m-85 -117.48 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.672 ' O ' ' O ' ' A' ' 179' ' ' PHE . 16.8 p -50.07 -131.06 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . 0.817 ' O ' HG23 ' A' ' 182' ' ' THR . 9.7 tp -164.27 151.34 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.7 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.937 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.5 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.421 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 1.041 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 82.4 Cg_exo -34.44 12.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.823 0 C-N-CA 123.438 2.759 . . . . 0.0 112.669 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . 0.937 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 69.0 Cg_endo -79.87 -4.23 13.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.841 2.361 . . . . 0.0 112.15 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . 1.077 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.28 -18.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.241 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.158 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.76 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.947 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 1.031 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 0.8 OUTLIER -106.72 -115.02 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.23 179.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.8 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.758 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.759 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.85 111.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.39 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.646 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.57 2.09 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.79 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.518 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.58 157.82 20.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -150.35 147.79 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.778 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . 0.555 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 64.9 mt -149.42 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.264 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -142.33 130.24 21.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.95 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.707 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 48.0 t -132.64 136.65 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.141 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . 0.779 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 21.6 t-160 -126.55 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.953 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.2 t80 -145.57 87.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.276 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.784 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.9 p90 -100.08 87.76 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' GLU . . . . . 0.805 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.2 tt0 -129.46 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.317 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . 0.805 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 89.3 m-20 114.8 2.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.382 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.63 -129.14 1.09 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -172.84 99.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 45.6 t -127.08 129.17 71.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.563 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' GLN . . . . . 0.707 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 81.5 mt-30 -136.77 154.12 50.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.462 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.64 ' O ' HD23 ' A' ' 206' ' ' LEU . 7.9 tt -122.28 87.21 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.653 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.9 t -90.07 122.27 41.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.376 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 33.0 t -149.64 147.23 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . 0.441 ' ND1' ' O ' ' A' ' 209' ' ' HIS . 14.8 p80 -157.86 145.13 18.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.165 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -135.48 129.08 32.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' ' 191' ' ' VAL . 64.4 m-20 -103.6 129.87 50.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.22 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 213' ' ' GLN . 96.7 mt -127.15 154.88 37.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 0.0 110.982 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . 0.448 ' N ' HG22 ' A' ' 212' ' ' ILE . 52.6 tt0 -150.2 102.69 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.322 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' ASP . . . . . 0.65 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 99.7 m-20 -118.88 166.09 13.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.681 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 1.031 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 23.5 p -117.84 103.39 9.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' VAL . . . . . 1.158 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.88 165.97 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.661 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . 1.077 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.4 pt20 -102.64 128.03 49.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 1.068 HG23 ' HB2' ' A' ' 186' ' ' ALA . 67.5 t -85.99 137.47 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.619 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.974 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.5 t -130.99 -98.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.28 -163.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 21.4 p-10 -86.81 -62.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.471 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 98.2 t -70.05 -24.7 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.525 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -74.0 -56.72 4.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.531 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.974 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.0 p -54.6 -36.9 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.517 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.55 -57.14 14.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -57.06 -30.55 64.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.374 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -67.61 -38.78 84.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.409 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.43 ' CE1' HG11 ' A' ' 216' ' ' VAL . 38.3 m-85 -67.72 -54.01 22.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.354 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' ILE . . . . . 0.423 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.12 -27.36 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -74.83 -36.75 62.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.353 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' ILE . . . . . 0.431 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.8 mt -67.48 -41.21 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.454 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' ILE . . . . . 0.46 HG23 ' CE2' ' A' ' 177' ' ' TRP . 53.9 mt -70.09 -44.42 78.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.44 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -57.11 -46.98 82.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.474 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -69.64 -43.9 71.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.462 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.98 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.445 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -60.15 -44.16 95.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' ASN . . . . . 0.605 ' O ' HG23 ' A' ' 241' ' ' THR . 92.6 m-20 -59.98 -40.19 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.444 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -69.85 -34.32 73.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.492 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -68.5 -44.41 74.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -68.17 -38.95 82.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.53 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 237' ' ' ASN . 19.0 p -61.53 -45.74 92.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.484 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.48 -30.73 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.553 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.6 mm -69.18 -47.51 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.482 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.67 -34.23 74.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.83 -42.98 84.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.538 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . 0.465 ' O ' ' HB3' ' A' ' 250' ' ' MET . 24.1 t-20 -62.07 -34.68 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 247' ' ' TYR . . . . . 0.595 ' HH ' ' CB ' ' B' ' 536' ' ' THR . 0.3 OUTLIER -64.89 -31.92 73.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . 0.579 ' O ' ' OD2' ' A' ' 252' ' ' ASP . 12.5 tp60 -73.21 -50.94 19.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.549 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.0 m -64.7 -34.85 79.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.605 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 246' ' ' ASN . 2.1 ptp -72.87 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.529 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.3 p -112.95 -10.13 13.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 252' ' ' ASP . . . . . 0.802 ' OD1' ' O ' ' A' ' 252' ' ' ASP . 2.7 p30 -132.06 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.615 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 253' ' ' THR . . . . . 0.61 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 3.9 m 175.74 -79.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . 0.572 ' N ' HG22 ' A' ' 253' ' ' THR . 6.8 m -53.52 -61.27 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.593 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -47.63 -57.56 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -64.15 -11.85 34.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.23 -18.19 30.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.564 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.01 -91.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.616 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 259' ' ' ARG . . . . . 0.855 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.7 ttt180 -98.64 174.41 6.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 260' ' ' ARG . . . . . 0.855 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 18.4 mmm180 -109.19 153.2 24.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 262' ' ' LEU . 53.4 tt0 -83.66 -11.22 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.527 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.66 133.22 3.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.475 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 263' ' ' PRO . . . . . 0.716 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 75.8 Cg_exo -43.92 135.38 7.76 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.869 2.38 . . . . 0.0 112.109 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 264' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 265' ' ' THR . 6.1 m -37.74 -39.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 265' ' ' THR . . . . . 0.485 ' O ' HG22 ' A' ' 267' ' ' THR . 33.9 p -64.15 -5.46 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 266' ' ' ARG . . . . . 0.679 ' N ' ' O ' ' A' ' 263' ' ' PRO . 4.7 ttm180 54.13 55.61 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.482 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 98.7 mttt -16.73 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.614 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 269' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 270' ' ' ASP . 95.9 mt -50.3 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.538 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.809 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.3 m-20 -117.09 58.55 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.519 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 271' ' ' TRP . . . . . 0.607 ' C ' ' O ' ' A' ' 270' ' ' ASP . 82.0 m95 -21.5 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.612 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.9 t-20 -44.54 -25.65 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.614 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . 1.214 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 0.8 OUTLIER -99.92 -7.73 24.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.657 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 274' ' ' ILE . . . . . 0.592 ' N ' ' O ' ' A' ' 271' ' ' TRP . 8.0 mm -103.21 -1.11 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.56 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . 0.719 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.2 mt -111.18 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.521 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . 1.31 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.94 -38.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.632 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 1.214 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 75.3 t80 -30.92 43.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 278' ' ' LYS . . . . . 1.31 ' N ' ' O ' ' A' ' 276' ' ' SER . 31.6 mtmm -107.64 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.562 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 92.5 mt 54.18 3.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.1 0.0 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.088 -0.805 . . . . 0.0 111.088 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 51.8 tttp . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.509 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 302' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 34.6 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -42.77 -51.23 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.491 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -55.35 -34.12 63.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.472 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.1 mt-30 -60.68 -49.12 78.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.435 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 46.9 tp -57.25 -40.57 77.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.427 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.01 -40.79 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.351 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.6 m -68.1 -37.17 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.392 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.24 -42.11 96.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.349 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.36 -38.35 84.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . 0.405 ' OD1' ' NE ' ' B' ' 315' ' ' ARG . 47.1 t0 -68.29 -33.65 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.82 -43.75 74.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.364 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.1 mmm -64.36 -25.63 68.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.374 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -82.26 -12.34 58.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 315' ' ' ARG . . . . . 0.588 HH11 ' HG2' ' B' ' 315' ' ' ARG . 51.0 mtt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.455 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.64 147.75 95.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.556 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.65 128.42 21.08 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.825 2.35 . . . . 0.0 112.04 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 318' ' ' PRO . . . . . 0.422 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.0 Cg_endo -71.48 -4.02 14.17 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.846 2.364 . . . . 0.0 112.061 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . 0.418 ' HG2' ' H ' ' B' ' 319' ' ' GLN . 5.6 pt20 -80.59 -17.81 50.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.572 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -123.91 39.5 3.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 321' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' B' ' 318' ' ' PRO . 85.7 mt -63.33 -40.88 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.75 -60.76 3.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.546 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -54.67 -54.38 42.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.483 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -54.66 -55.75 26.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.483 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.5 tp -47.18 -48.92 23.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.447 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.1 t -57.13 -49.69 75.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.393 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.33 -40.73 97.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.479 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 61.3 tp -55.55 -41.06 72.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.485 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.41 -41.21 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -57.81 -37.95 74.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.425 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.8 tp -71.22 -29.08 64.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.59 84.62 9.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.491 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -68.1 -5.57 15.08 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.082 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 97.4 p -89.37 -6.4 56.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.591 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 88.9 mt -119.03 20.87 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.632 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' CYS . . . . . 0.442 ' SG ' HD11 ' B' ' 340' ' ' LEU . 12.0 t -64.11 -55.86 18.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.543 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.41 -50.34 73.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.77 -36.18 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . 0.47 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 72.8 mt -79.05 -28.67 43.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' LEU . . . . . 0.638 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 39.3 mt -81.47 12.42 3.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.0 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.545 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 54.4 p -119.41 -15.53 9.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 89.4 t -105.83 120.06 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -87.86 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.5 OUTLIER -129.32 165.91 29.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.483 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -44.44 125.24 5.85 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.829 2.353 . . . . 0.0 112.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 93.0 mt -66.73 122.53 17.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.675 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.67 148.81 23.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.408 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 17.1 pt -102.98 136.37 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.715 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' ALA . . . . . 0.725 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.66 33.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -114.33 143.39 44.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.558 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.971 ' O ' ' N ' ' B' ' 356' ' ' GLY . 61.9 t0 -111.98 81.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.423 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 67.0 mmtt -37.28 -62.9 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' B' ' 353' ' ' LYS . 98.0 t -39.54 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.594 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 4.3 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.603 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.971 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.2 24.67 70.63 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' B' ' 352' ' ' ASP . 70.7 mmtt -115.03 154.89 28.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.619 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.3 m-20 -94.77 143.03 26.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.614 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.685 ' CZ ' ' HB1' ' B' ' 350' ' ' ALA . 29.9 p90 -139.62 135.75 33.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.15 156.63 38.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.567 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.481 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.2 mt -108.6 158.56 17.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.544 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 362' ' ' CYS . . . . . 0.597 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.5 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.566 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 363' ' ' ASP . . . . . 0.638 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.0 t70 -75.48 -10.32 59.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 364' ' ' TYR . . . . . 0.449 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 38.5 m-85 -88.38 -18.22 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.454 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 365' ' ' ASN . . . . . 0.597 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 35.8 p-10 -123.21 24.76 8.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.603 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 366' ' ' ARG . . . . . 0.503 HH22 HD13 ' B' ' 340' ' ' LEU . 31.0 ttp180 -119.92 129.85 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -122.2 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.519 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.73 1.75 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -126.26 8.65 7.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.849 0.357 . . . . 0.0 110.573 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 370' ' ' SER . . . . . 1.142 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.6 p -122.36 161.36 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 371' ' ' TYR . . . . . 1.119 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 83.6 m-85 -118.3 150.83 38.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . 0.616 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.5 ttp180 -98.82 124.71 43.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 373' ' ' SER . . . . . 0.599 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.2 t -79.56 133.8 58.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.773 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.91 -14.81 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.863 2.375 . . . . 0.0 112.197 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -85.87 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.641 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 56.5 p -83.17 -18.58 38.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.638 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 377' ' ' ASN . . . . . 0.599 ' HA ' ' O ' ' B' ' 373' ' ' SER . 19.5 t30 70.18 40.83 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.578 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -141.57 137.88 32.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.608 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 379' ' ' TYR . . . . . 1.119 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 46.0 m-85 -65.7 140.41 58.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.62 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . 0.77 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.4 6.22 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.379 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 1.142 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.4 Cg_exo -65.47 120.05 7.19 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.973 2.448 . . . . 0.0 112.317 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -41.55 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.968 2.446 . . . . 0.0 112.279 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.684 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.47 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.563 179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.581 ' H ' HD23 ' B' ' 383' ' ' LEU . 97.6 mt-10 -111.64 -72.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.608 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.07 66.05 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.491 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.7 47.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 387' ' ' ALA . . . . . 0.6 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -64.0 127.25 30.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.583 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 51.3 mtm -132.27 148.58 70.3 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.61 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 389' ' ' PRO . . . . . 0.456 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.8 Cg_endo -72.94 150.75 49.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.775 2.317 . . . . 0.0 112.146 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 95.5 p -52.72 142.89 17.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.628 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.57 -43.76 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -67.85 -37.88 82.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 54.4 tp -70.85 -42.45 70.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.391 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -55.3 -36.85 66.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.42 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -63.5 -46.56 85.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.323 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.3 tp -64.47 -31.89 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.323 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.616 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.6 tt0 -67.81 -38.01 82.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.403 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.5 t -65.14 -40.32 88.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.67 -36.98 79.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.329 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.93 94.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 401' ' ' ASN . . . . . 0.433 ' O ' ' OD2' ' B' ' 405' ' ' ASP . 57.6 m-80 -63.92 -39.03 93.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.374 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -72.19 -40.34 67.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.362 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.7 -47.99 78.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.26 -29.25 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.441 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.483 ' O ' ' NH1' ' B' ' 408' ' ' ARG . 15.3 m-20 -54.6 -38.85 67.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . 0.418 ' O ' HD12 ' B' ' 410' ' ' LEU . 78.6 mt-30 -77.11 -32.86 56.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 407' ' ' TYR . . . . . 0.478 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 0.1 OUTLIER -69.76 -18.6 63.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 408' ' ' ARG . . . . . 0.53 ' HA ' ' HD2' ' B' ' 412' ' ' PHE . 6.4 ptt-85 -83.85 -35.51 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.533 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 409' ' ' ASP . . . . . 0.463 ' N ' ' HG2' ' B' ' 408' ' ' ARG . 32.4 t70 -85.14 -8.98 58.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 410' ' ' LEU . . . . . 0.679 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 32.4 mt -95.85 -17.88 20.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 411' ' ' TYR . . . . . 0.716 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.91 -38.07 3.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.516 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.797 ' CD1' ' HG3' ' B' ' 436' ' ' LYS . 74.3 m-85 -100.61 -25.89 14.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 413' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 99.6 mt-10 63.47 24.38 14.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.606 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.73 -154.44 25.39 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 415' ' ' GLY . . . . . 0.8 ' HA3' ' HD3' ' B' ' 436' ' ' LYS . . . 76.32 -163.48 53.0 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.3 t -128.65 153.78 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.48 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 80.0 p -143.65 148.49 35.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.692 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 24.1 m -148.2 143.91 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.369 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.4 t -132.79 130.23 58.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.535 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.9 m-85 -128.46 132.39 48.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.334 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 8.8 mt -119.61 158.44 26.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.709 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 422' ' ' TRP . . . . . 0.969 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.9 p90 -154.52 110.58 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.51 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -43.04 159.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.658 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 424' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.6 mt -127.91 -147.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.581 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 41.8 m-20 -87.31 -49.88 6.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.54 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -129.76 30.7 4.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.56 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.66 2.56 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -170.7 154.08 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.58 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . 0.969 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.99 172.83 8.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.506 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.14 161.69 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 431' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 9.8 p -130.09 126.36 61.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 0.0 110.52 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.29 113.68 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' B' ' 450' ' ' SER . 53.3 mt -102.87 143.16 32.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.557 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 434' ' ' ILE . . . . . 0.589 HG23 ' HZ3' ' B' ' 436' ' ' LYS . 0.3 OUTLIER -148.72 119.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.581 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 435' ' ' LYS . . . . . 0.639 ' O ' ' HD3' ' B' ' 436' ' ' LYS . 49.3 tttp -122.56 127.53 49.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 436' ' ' LYS . . . . . 0.8 ' HD3' ' HA3' ' B' ' 415' ' ' GLY . 8.6 mmtm -137.2 119.6 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.94 138.14 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.616 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.04 179.49 45.03 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -50.71 128.06 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.504 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.63 9.74 76.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 74.1 m -110.4 -4.22 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -89.23 153.89 20.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -56.91 -43.77 81.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.64 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 444' ' ' ILE . . . . . 0.43 HD12 ' ND2' ' A' ' 246' ' ' ASN . 14.7 tt -95.11 135.96 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.736 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -105.79 154.69 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.351 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.39 24.5 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.43 130.68 14.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.788 0.328 . . . . 0.0 110.225 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 448' ' ' TRP . . . . . 0.554 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.3 t-105 -114.83 116.22 28.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.797 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 449' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.44 127.23 54.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.275 179.677 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 450' ' ' SER . . . . . 0.464 ' HB2' ' HB ' ' B' ' 434' ' ' ILE . 0.5 OUTLIER -115.96 122.69 46.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.911 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 95.5 mt -127.89 100.8 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.192 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 452' ' ' HIS . . . . . 0.498 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 2.6 m-70 -108.66 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 61.2 t -128.68 95.64 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.271 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 454' ' ' VAL . . . . . 0.431 HG22 ' N ' ' B' ' 455' ' ' GLU . 8.4 p -96.74 153.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 455' ' ' GLU . . . . . 0.431 ' N ' HG22 ' B' ' 454' ' ' VAL . 96.3 mt-10 -131.83 102.18 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.339 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.9 t -79.03 139.69 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -123.54 68.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.428 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 458' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.0 mt-10 -40.33 146.48 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.588 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 459' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.5 mmtp -109.39 142.02 40.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.499 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -49.04 -54.12 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.583 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 35.1 p -126.73 146.55 50.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 462' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.76 48.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 59.11 -0.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.697 0.284 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 15.0 t -82.29 123.64 29.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.459 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.72 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 466' ' ' HIS . . . . . 0.528 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.5 t-160 -92.89 126.56 38.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.365 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -103.21 139.45 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.933 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -135.84 86.09 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.211 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 469' ' ' LEU . . . . . 0.782 HD12 ' H ' ' B' ' 470' ' ' THR . 28.4 tp -82.11 157.57 24.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 470' ' ' THR . . . . . 0.782 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.8 m -157.84 62.87 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.049 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 16.1 m -64.68 174.59 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.118 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 472' ' ' THR . . . . . 0.508 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.5 m -168.77 87.52 0.19 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.129 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 473' ' ' VAL . . . . . 0.415 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 91.7 t -69.66 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 474' ' ' MET . . . . . 0.439 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 11.6 mtp -124.81 95.95 4.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.167 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 475' ' ' LEU . . . . . 0.523 HD23 ' CE2' ' B' ' 532' ' ' TYR . 4.6 tp -86.59 131.14 34.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -125.29 130.32 51.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.226 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 31.6 mt -137.41 124.59 21.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.937 0.398 . . . . 0.0 110.77 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 478' ' ' GLN . . . . . 0.611 ' HG3' ' N ' ' B' ' 479' ' ' THR . 4.4 tp-100 -138.14 158.14 44.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.414 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 479' ' ' THR . . . . . 0.611 ' N ' ' HG3' ' B' ' 478' ' ' GLN . 1.7 t -163.42 127.46 2.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.666 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 480' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 48.0 p30 -108.22 73.85 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.562 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 481' ' ' LYS . . . . . 0.885 ' O ' ' N ' ' B' ' 485' ' ' GLY . 64.0 tttp -107.62 146.65 31.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.522 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 61.7 p -57.26 -46.01 83.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.538 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.64 -25.28 68.75 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . 0.448 ' O ' ' C ' ' B' ' 485' ' ' GLY . 6.3 t -125.86 14.81 8.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.855 0.36 . . . . 0.0 110.629 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 485' ' ' GLY . . . . . 0.885 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.63 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 486' ' ' THR . . . . . 0.445 ' N ' ' O ' ' B' ' 484' ' ' SER . 97.2 m -126.01 114.0 17.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.528 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 487' ' ' MET . . . . . 0.483 ' O ' ' OE1' ' B' ' 478' ' ' GLN . 2.6 tmm? -125.11 118.1 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 488' ' ' ASN . . . . . 0.475 ' HB2' HE22 ' B' ' 478' ' ' GLN . 0.5 OUTLIER -119.01 123.99 45.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 489' ' ' LEU . . . . . 0.536 HD11 ' OH ' ' A' ' 247' ' ' TYR . 1.2 tt -131.68 76.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.42 -163.84 21.78 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 491' ' ' GLY . . . . . 0.629 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.89 -142.68 11.09 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 492' ' ' SER . . . . . 0.629 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 78.6 p 163.26 135.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.808 0.337 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.54 149.46 30.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.647 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 494' ' ' THR . . . . . 0.508 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.6 m -127.14 142.91 51.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.48 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -150.0 128.74 12.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.654 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -92.87 160.51 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.52 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 12.3 ttp -160.06 130.46 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.671 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.55 141.64 47.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.467 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -172.25 145.84 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.528 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.4 m-20 -91.28 125.23 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.484 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -120.7 160.12 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.4 m -94.2 131.83 39.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.609 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.63 122.43 50.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.653 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.5 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.572 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.86 -35.84 77.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.531 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.7 -19.82 34.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.547 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 6.8 t -135.52 73.48 62.23 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.596 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.53 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.763 2.309 . . . . 0.0 112.161 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -58.77 -62.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.5 mt -42.71 -49.11 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.534 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.24 71.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.669 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.93 -48.22 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.579 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.6 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.593 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.75 -46.56 74.11 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.33 -44.39 84.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.71 0.291 . . . . 0.0 110.699 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 48.7 mt -63.15 -52.51 62.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.4 t -55.47 -47.21 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -57.82 -51.79 68.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.48 -37.56 87.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 37.5 tpp -64.31 -49.41 71.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -62.62 -45.24 93.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.721 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 522' ' ' ASN . . . . . 0.422 ' ND2' ' OH ' ' B' ' 411' ' ' TYR . 12.8 m120 -56.93 -41.46 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -70.62 -38.46 73.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.726 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 95.4 mt -74.45 -24.35 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.63 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 525' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' B' ' 525' ' ' ARG . 50.6 ttt-85 -68.7 -27.7 66.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.656 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 37.2 t -85.01 -38.69 18.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 14.4 m -66.04 -35.79 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.663 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.687 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 47.2 mt -64.93 -42.41 94.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -68.58 -31.27 70.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . 0.969 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.5 mt-10 -74.35 -54.48 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.39 -61.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 532' ' ' TYR . . . . . 0.687 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 14.4 m-85 -50.24 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.558 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 533' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.79 40.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.57 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . 0.969 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.07 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.52 ' NZ ' ' CD1' ' A' ' 169' ' ' TRP . 17.2 tptm -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.687 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 67.1 p -34.8 -58.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.536 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.34 -53.27 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -53.2 -44.97 68.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.545 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 539' ' ' ILE . . . . . 0.447 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 94.4 mt -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.611 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.48 -41.95 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -69.77 -17.2 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.552 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.33 48.21 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.459 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 14.6 mt -68.1 -51.4 46.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.716 0.293 . . . . 0.0 110.446 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 544' ' ' ARG . . . . . 0.733 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.78 170.12 16.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.651 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 545' ' ' SER . . . . . 0.733 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 36.1 t -142.2 137.9 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.59 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.19 -43.47 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.461 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -82.94 138.6 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 548' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.09 8.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.541 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 83.3 mt -79.51 112.69 30.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.558 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 550' ' ' PRO . . . . . 0.574 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.2 Cg_exo -46.51 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.846 2.364 . . . . 0.0 112.091 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.574 ' O ' ' O ' ' B' ' 550' ' ' PRO . 52.0 p-10 -25.25 145.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.601 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -129.87 116.16 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.541 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -85.26 -24.81 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.48 ' O ' HD13 ' B' ' 558' ' ' LEU . 44.2 mmtm -52.52 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.65 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -45.22 -56.67 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -57.53 -46.9 83.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.751 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.88 -29.63 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.779 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . 0.48 HD13 ' O ' ' B' ' 554' ' ' LYS . 6.9 mp -77.84 -30.34 51.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.671 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -73.57 -36.32 65.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.728 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -58.23 -40.51 81.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.792 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 561' ' ' GLU . . . . . 0.595 ' O ' HG23 ' B' ' 565' ' ' VAL . 76.4 mt-10 -67.88 -61.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.887 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.9 mt -49.06 -40.76 32.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.656 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 563' ' ' SER . . . . . 0.795 ' O ' ' N ' ' B' ' 565' ' ' VAL . 60.7 m -61.15 -76.37 0.05 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.717 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.5 pt20 -36.67 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.887 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.6 t -72.09 -42.73 67.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.7 mt -81.42 -35.58 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . 0.426 ' H ' HG23 ' B' ' 567' ' ' THR . 4.4 p -70.37 -19.51 63.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.541 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -117.56 6.6 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.689 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.3 ttt180 -160.98 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.548 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.901 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 4.7 tt0 139.81 128.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.672 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 571' ' ' ILE . . . . . 0.901 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 54.1 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.492 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 601' ' ' MET . . . . . 0.733 ' O ' ' SG ' ' C' ' 602' ' ' CYS . 76.4 mmm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 602' ' ' CYS . . . . . 0.733 ' SG ' ' O ' ' C' ' 601' ' ' MET . 1.0 OUTLIER 62.19 5.95 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.533 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -49.83 -37.8 32.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.486 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 604' ' ' LYS . . . . . 0.531 ' NZ ' ' CE ' ' C' ' 607' ' ' MET . 0.0 OUTLIER -69.69 -52.25 27.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.51 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -55.11 -28.89 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.557 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 606' ' ' PHE . . . . . 0.66 ' CD2' ' SG ' ' C' ' 602' ' ' CYS . 0.9 OUTLIER -75.73 -53.59 8.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.561 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 607' ' ' MET . . . . . 0.531 ' CE ' ' NZ ' ' C' ' 604' ' ' LYS . 43.8 ttp -72.78 -36.83 67.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -56.8 -16.0 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 609' ' ' ALA . . . . . 0.571 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.4 -50.7 13.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.595 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 610' ' ' LEU . . . . . 0.735 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.6 mp -66.26 2.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.565 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 611' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' C' ' 609' ' ' ALA . 17.7 tptm -102.12 -66.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.552 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -70.38 -4.24 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 613' ' ' GLY . . . . . 0.549 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.89 58.44 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 614' ' ' ASP . . . . . 0.473 ' C ' ' N ' ' C' ' 616' ' ' ASP . 6.5 m-20 -63.84 49.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.568 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 615' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.3 pp -44.97 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.533 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' C ' ' C' ' 614' ' ' ASP . 65.8 t0 -77.76 -27.46 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 617' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' C' ' 614' ' ' ASP . 21.0 tp10 -81.54 -49.88 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 618' ' ' VAL . . . . . 0.666 ' O ' ' CD2' ' C' ' 621' ' ' TYR . 2.3 m -62.86 -28.36 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.556 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 619' ' ' LYS . . . . . 0.502 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.9 tttm -66.18 -21.89 66.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 620' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 93.1 m-20 -75.37 -45.38 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.616 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 621' ' ' TYR . . . . . 0.954 ' OH ' HG22 ' C' ' 628' ' ' VAL . 0.1 OUTLIER -61.03 -59.15 5.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.527 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 622' ' ' VAL . . . . . 0.887 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.2 p -57.73 -27.85 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.599 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 623' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.74 -16.76 7.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.609 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -64.75 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.87 82.42 0.1 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.5 mt-10 34.24 95.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -141.03 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.634 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 628' ' ' VAL . . . . . 0.954 HG22 ' OH ' ' C' ' 621' ' ' TYR . 1.6 t -121.97 76.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -173.09 5.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.654 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -79.04 166.86 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 631' ' ' THR . . . . . 0.485 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.11 87.67 6.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.596 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 632' ' ' LEU . . . . . 0.485 ' C ' ' O ' ' C' ' 631' ' ' THR . 48.1 tp -31.35 -88.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.65 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.513 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 71.7 mm-40 -71.67 -76.82 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.569 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 634' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 635' ' ' GLY . . . -153.71 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 635' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' C' ' 634' ' ' GLY . . . -163.43 22.73 0.18 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 636' ' ' ARG . . . . . 0.599 HH21 ' CD2' ' C' ' 640' ' ' HIS . 67.3 mtp180 -127.88 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 637' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' C' ' 639' ' ' LEU . 1.7 mptp? -108.38 157.01 37.56 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.613 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 638' ' ' PRO . . . . . 0.462 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.3 Cg_endo -73.7 25.01 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.874 2.383 . . . . 0.0 112.103 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 639' ' ' LEU . . . . . 0.536 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.74 -16.36 10.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.503 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 640' ' ' HIS . . . . . 0.599 ' CD2' HH21 ' C' ' 636' ' ' ARG . 21.9 t60 -75.22 -43.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.483 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 641' ' ' TYR . . . . . 0.495 ' OH ' ' NH1' ' C' ' 636' ' ' ARG . 66.0 m-85 -71.67 -36.0 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.464 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 642' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -44.99 75.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.55 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 643' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' C' ' 651' ' ' LEU . . . -69.05 -48.47 62.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.526 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 644' ' ' ASP . . . . . 0.498 ' OD2' ' OE2' ' C' ' 678' ' ' GLU . 2.9 t0 -60.6 -35.73 76.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.495 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 645' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 34.9 t -160.89 65.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.587 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 646' ' ' GLY . . . . . 0.681 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.01 34.13 4.46 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 647' ' ' GLN . . . . . 0.566 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 35.9 tt0 51.67 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.815 0.341 . . . . 0.0 110.577 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 648' ' ' LEU . . . . . 0.888 ' N ' HD13 ' C' ' 648' ' ' LEU . 0.0 OUTLIER 71.57 7.0 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 649' ' ' GLU . . . . . 0.404 ' C ' HD12 ' C' ' 650' ' ' ILE . 98.1 mt-10 -115.76 -12.64 11.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 650' ' ' ILE . . . . . 0.637 ' N ' HD12 ' C' ' 650' ' ' ILE . 1.2 mp -87.56 -36.13 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 0.873 HD21 ' HA ' ' C' ' 648' ' ' LEU . 0.2 OUTLIER -62.33 -52.91 61.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.578 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 652' ' ' GLU . . . . . 0.71 ' N ' HD12 ' C' ' 651' ' ' LEU . 12.1 pt-20 -56.21 -22.6 30.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.489 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 653' ' ' PHE . . . . . 0.972 ' O ' ' N ' ' C' ' 655' ' ' LEU . 1.2 t80 -75.81 -97.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.578 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 654' ' ' LEU . . . . . 0.502 ' N ' HD23 ' C' ' 654' ' ' LEU . 0.3 OUTLIER -41.39 6.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.589 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 655' ' ' LEU . . . . . 0.972 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.2 tt -102.94 -47.89 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.552 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.26 -25.43 64.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.532 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -90.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.546 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 658' ' ' GLY . . . . . 0.599 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.35 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 659' ' ' ALA . . . . . 0.702 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.06 33.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.354 . . . . 0.0 110.592 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 660' ' ' ASP . . . . . 0.529 ' HB2' HD12 ' C' ' 639' ' ' LEU . 18.0 m-20 -57.39 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 661' ' ' ILE . . . . . 0.702 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.8 tp -66.01 1.88 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 662' ' ' ASN . . . . . 1.098 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 76.6 m-20 -163.66 -18.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.519 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 663' ' ' ALA . . . . . 0.777 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.62 0.28 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.021 0.439 . . . . 0.0 110.592 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 664' ' ' PRO . . . . . 1.098 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 76.4 Cg_exo -46.98 120.79 4.45 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.866 2.377 . . . . 0.0 112.18 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -125.85 -50.46 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.529 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 666' ' ' LYS . . . . . 0.402 ' CD ' ' N ' ' C' ' 666' ' ' LYS . 1.6 mptm? -78.84 -16.11 57.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 667' ' ' HIS . . . . . 0.497 ' O ' HG22 ' C' ' 669' ' ' ILE . 7.1 t-160 -80.49 -6.3 57.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.534 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 40.54 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.6 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 669' ' ' ILE . . . . . 0.497 HG22 ' O ' ' C' ' 667' ' ' HIS . 16.5 tt -176.88 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 670' ' ' THR . . . . . 0.405 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.21 168.72 10.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.519 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 671' ' ' PRO . . . . . 0.415 ' HG3' HD13 ' C' ' 639' ' ' LEU . 53.7 Cg_endo -72.48 -30.5 12.27 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.889 2.393 . . . . 0.0 112.12 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.774 HD12 HG13 ' C' ' 684' ' ' VAL . 0.4 OUTLIER -45.39 -49.09 13.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.485 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 673' ' ' LEU . . . . . 0.622 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.77 66.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.571 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 674' ' ' SER . . . . . 0.57 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.1 t -51.81 -40.91 61.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.526 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 675' ' ' ALA . . . . . 0.614 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.52 -29.97 61.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 676' ' ' VAL . . . . . 0.622 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 17.9 t -47.19 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 677' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.78 39.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.612 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 678' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 62.3 mm-40 -124.47 -28.63 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.2 -11.34 72.35 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 680' ' ' HIS . . . . . 0.895 ' O ' ' N ' ' C' ' 682' ' ' SER . 64.6 m80 -71.94 -53.53 12.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.589 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.29 -5.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 682' ' ' SER . . . . . 0.895 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.3 t -67.39 -24.24 65.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.618 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 683' ' ' CYS . . . . . 0.699 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 9.6 p -90.96 -48.71 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.545 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 684' ' ' VAL . . . . . 0.774 HG13 HD12 ' C' ' 672' ' ' LEU . 92.2 t -41.82 -34.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 685' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' C' ' 687' ' ' LEU . 99.0 mttt -62.49 -73.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.583 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 686' ' ' LEU . . . . . 0.552 ' N ' HD22 ' C' ' 686' ' ' LEU . 3.8 mm? -62.93 1.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.564 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 687' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' C' ' 685' ' ' LYS . 0.3 OUTLIER -81.9 -70.27 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 688' ' ' LEU . . . . . 0.432 ' N ' HD12 ' C' ' 688' ' ' LEU . 10.8 mp -45.65 -21.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.508 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 689' ' ' SER . . . . . 0.428 ' N ' ' C ' ' C' ' 687' ' ' LEU . 13.2 m -55.72 -21.64 19.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -99.57 -6.31 27.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 691' ' ' GLY . . . . . 1.08 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.75 -74.92 0.42 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 692' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.22 18.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.636 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 693' ' ' ASP . . . . . 1.08 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.6 OUTLIER 33.06 -128.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.596 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -152.56 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -156.56 73.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.536 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 696' ' ' VAL . . . . . 0.442 HG22 ' OD2' ' C' ' 693' ' ' ASP . 5.5 t -93.43 -29.63 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.68 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 697' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' C' ' 664' ' ' PRO . 0.4 OUTLIER -140.13 23.51 2.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.617 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.68 142.79 20.35 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 699' ' ' PRO . . . . . 0.642 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 74.8 Cg_exo -44.84 -27.68 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.823 2.349 . . . . 0.0 112.162 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 700' ' ' ASP . . . . . 0.642 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.7 t70 157.69 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.85 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 702' ' ' LEU . . . . . 0.652 ' O ' ' C ' ' C' ' 703' ' ' THR . 2.9 tt -53.84 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.585 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 703' ' ' THR . . . . . 0.887 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 11.4 p 16.22 -95.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 704' ' ' ALA . . . . . 0.513 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.59 -18.67 13.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 705' ' ' LEU . . . . . 0.571 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 0.2 OUTLIER -62.82 -75.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.608 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.76 15.2 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . 0.887 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 65.1 p -139.83 -142.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.535 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 43.6 p-10 -148.78 -4.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -72.59 151.87 42.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -71.61 -20.43 61.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.25 -60.33 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.683 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 713' ' ' ILE . . . . . 0.502 ' O ' HD21 ' C' ' 716' ' ' LEU . 7.8 mt -70.05 -37.67 72.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.535 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -52.04 -29.95 23.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.25 14.23 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 716' ' ' LEU . . . . . 0.845 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.3 OUTLIER -161.04 98.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.556 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 717' ' ' LEU . . . . . 0.845 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 12.9 mt 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 718' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 40.9 tt0 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.609 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 7' ' ' ARG . 56.9 ttt-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.8 p -54.07 94.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.793 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -45.94 162.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.607 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 14' ' ' VAL . 99.9 m-20 -64.92 -33.61 76.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.585 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.47 -39.35 87.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.498 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.6 mt-10 -67.5 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -63.72 -35.88 82.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.569 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 10' ' ' ASP . 65.5 t -65.33 -43.71 94.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.417 HH21 ' HG2' ' A' ' 12' ' ' GLU . 72.0 mtm180 -61.56 -39.75 92.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.722 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.2 mt -65.38 -47.4 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.496 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.69 75.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.87 -41.36 91.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.561 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.15 -44.83 87.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.667 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.69 -46.44 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.574 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 68.2 p -76.06 8.49 3.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.578 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.77 15.35 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.57 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.48 146.91 81.55 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.508 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 16.8 Cg_endo -68.13 167.48 21.75 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.843 2.362 . . . . 0.0 112.061 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.92 116.26 4.6 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.725 2.283 . . . . 0.0 112.127 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.11 21.48 35.5 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 41.3 mt-10 -149.33 37.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.792 0.33 . . . . 0.0 110.551 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -73.95 -48.89 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -57.03 -57.42 12.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.572 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 39.9 mp0 -44.43 -54.43 5.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.548 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 36' ' ' VAL . 54.5 t -60.79 -42.57 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.601 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.539 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 37.0 t80 -59.16 -50.83 72.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.672 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -60.08 -37.93 81.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.09 -42.04 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.621 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 32' ' ' VAL . 94.3 t -67.07 -41.86 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.558 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -56.38 -54.82 41.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.2 mm? -59.32 -34.79 72.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.595 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.8 mt -73.17 -49.79 26.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.628 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.5 tp -61.74 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.3 t30 46.61 49.72 13.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.498 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.545 ' ND2' ' CD1' ' A' ' 45' ' ' LEU . 29.0 t-20 -168.68 79.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.665 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -51.95 -37.82 54.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -54.21 -44.17 71.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.545 ' CD1' ' ND2' ' A' ' 42' ' ' ASN . 95.8 mt -77.25 -30.88 54.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.1 tp -62.69 -38.79 91.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.549 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.13 -35.55 80.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.649 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -40.97 -59.79 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.16 -56.8 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.0 110.6 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.84 -46.47 87.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -54.36 -36.96 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.599 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.4 12.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.59 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.475 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.6 -56.57 5.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.564 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.68 -72.63 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.601 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 69.0 tp60 -33.63 -45.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.455 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 91.4 t80 -60.0 -72.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -46.91 -30.97 2.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' GLN . 82.4 mtp -68.84 -66.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' A' ' 57' ' ' TYR . 6.8 p-10 -67.9 10.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.617 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.4 mm100 -124.52 24.73 7.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.603 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.6 m-30 23.86 44.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.486 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.59 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.8 m -58.85 111.33 3.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.648 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -75.69 115.22 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.87 2.38 . . . . 0.0 112.22 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG22 ' N ' ' A' ' 66' ' ' LYS . 11.5 p -109.37 165.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.635 ' N ' HG22 ' A' ' 65' ' ' VAL . 60.1 tttm -125.19 103.96 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.548 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.885 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.55 148.27 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.639 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.885 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.0 tm-20 -13.22 -77.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.48 75.08 0.32 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.44 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.598 ' C ' ' O ' ' A' ' 70' ' ' TYR . 65.7 t0 20.22 39.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 1.069 ' O ' ' N ' ' A' ' 74' ' ' VAL . 54.1 t0 -98.72 19.37 14.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.7 ' C ' ' O ' ' A' ' 72' ' ' ASP . 16.1 mm100 -0.2 50.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.428 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.069 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p -63.86 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.612 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.725 ' N ' HG22 ' A' ' 74' ' ' VAL . 57.3 mt -113.39 152.31 30.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -104.02 105.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.13 -176.89 4.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.585 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -78.82 -31.28 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -64.01 -23.56 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.65 50.52 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -85.46 99.92 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.627 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.418 ' HB3' ' O ' ' A' ' 86' ' ' ARG . 55.3 tp -49.62 -51.48 37.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.524 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.14 -0.73 25.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -116.11 1.26 13.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.19 -15.74 9.34 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.66 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.68 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 0.0 110.523 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.52 -170.56 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLY . 62.0 mt -118.35 157.35 27.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.687 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.707 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 21.4 t0 -139.35 89.04 12.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.501 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.0 -36.65 81.72 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 0.0 112.037 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.607 ' NH2' ' SG ' ' A' ' 141' ' ' CYS . 86.4 mtt180 -59.46 -75.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.477 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.664 ' OD1' HD13 ' A' ' 94' ' ' ILE . 2.7 t-20 -76.5 -20.37 57.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.513 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.707 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 7.2 mtmp? 62.73 62.04 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.519 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.664 HD13 ' OD1' ' A' ' 92' ' ' ASN . 24.5 pt -146.47 154.45 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.823 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 3.9 t -92.69 133.05 36.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.698 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.3 p90 -140.14 136.63 33.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.692 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 62.0 tttm -88.68 113.42 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.583 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.861 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.2 t80 -82.72 133.11 35.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.534 ' OD2' ' NE ' ' A' ' 102' ' ' ARG . 17.4 t0 -104.54 90.11 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.562 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.48 -67.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.615 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.4 mt -47.44 -81.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.534 ' NE ' ' OD2' ' A' ' 99' ' ' ASP . 85.6 mtm180 -52.76 156.3 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.558 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -88.84 2.24 53.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.545 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -117.19 150.22 39.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.861 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.25 79.71 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.519 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.824 ' O ' ' OD1' ' A' ' 107' ' ' ASP . 66.6 m -95.56 -164.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.579 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.854 ' O ' ' CG ' ' A' ' 107' ' ' ASP . 0.0 OUTLIER 73.78 54.5 0.28 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.546 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.823 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.0 Cg_endo -73.47 -177.84 3.31 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.879 2.386 . . . . 0.0 112.068 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 95' ' ' SER . 3.5 mt-30 -160.1 124.55 2.11 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.474 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.11 130.95 17.1 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.07 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -122.87 102.47 8.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -75.47 88.41 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.7 p -46.87 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.537 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -76.1 -30.07 58.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.623 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.86 35.74 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.73 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.552 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 34.6 tp -104.14 3.35 32.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 119' ' ' GLN . 4.5 mmtm -54.01 -41.88 68.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.526 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' LYS . 76.0 mt-30 -39.19 -55.98 1.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.534 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -62.59 -47.55 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.573 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.0 tmm_? -53.89 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.7 m-20 -25.39 -45.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.529 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.52 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.2 m -51.12 -48.55 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.443 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.4 t0 -40.4 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.0 m -47.93 -46.25 31.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.29 -51.42 34.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.8 tt -72.81 -12.3 60.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.669 ' NH2' ' NZ ' ' A' ' 133' ' ' LYS . 27.4 ttt-85 -66.41 -32.7 74.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.59 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.67 -39.3 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.549 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.9 t80 -54.74 -38.81 67.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' A' ' 134' ' ' ASP . 86.1 t -74.68 -40.55 47.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.669 ' NZ ' ' NH2' ' A' ' 129' ' ' ARG . 95.1 mttt -76.2 26.03 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.532 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 79.7 m-20 -147.57 7.62 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.546 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.696 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 70.2 m80 -150.99 -21.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.557 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.7 m-85 -114.72 106.44 52.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.607 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.463 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.3 Cg_exo -51.54 -57.27 2.29 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.82 2.347 . . . . 0.0 112.027 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -127.5 50.08 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.87 163.54 12.63 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 75' ' ' LEU . 50.3 m-85 -135.03 158.21 44.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.595 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.607 ' SG ' ' NH2' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -129.57 162.32 28.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.512 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 89.6 m -161.44 97.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.59 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 41.9 t -75.77 143.48 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.4 m-85 -120.25 124.33 45.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.517 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.81 84.51 0.37 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -123.77 167.32 14.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 0.0 110.554 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.5 t -107.53 115.38 30.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.586 HG22 ' OD2' ' A' ' 149' ' ' ASP . 12.4 mt -91.19 104.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.569 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.607 ' OD1' ' O ' ' A' ' 149' ' ' ASP . 3.0 p30 46.61 54.22 9.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.533 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.87 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -53.74 129.78 34.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 110.665 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.646 ' H ' HG21 ' A' ' 181' ' ' ILE . 78.8 mt-30 -85.8 150.5 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.378 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.711 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.3 t -155.25 146.18 22.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.48 109.95 30.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.445 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.3 mt -98.06 117.03 42.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.84 116.06 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.243 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 74.0 m -106.12 135.44 47.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 13.8 mt -122.81 137.74 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.218 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.517 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.33 151.9 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.739 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.91 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.209 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.667 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.67 170.63 15.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.984 0.421 . . . . 0.0 110.951 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.1 mm-40 -148.63 77.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.191 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.667 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 4.9 m-85 -65.38 147.43 53.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.475 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.0 OUTLIER -167.97 66.1 0.73 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.341 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.681 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.6 Cg_endo -60.64 -52.16 4.14 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.818 2.345 . . . . 0.0 112.13 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.87 -8.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.465 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . 0.681 ' N ' ' O ' ' A' ' 165' ' ' PRO . 11.4 m120 -121.95 -10.46 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.528 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.822 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 53.5 m-85 70.01 80.12 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.822 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 20.6 p-90 158.72 127.15 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.754 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -135.97 162.36 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.87 163.12 29.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.617 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 27.9 ttp180 -165.74 136.67 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.351 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' TRP . . . . . 0.739 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.6 t-105 -107.62 138.89 43.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.509 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 54.7 mtm180 -125.36 152.27 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.233 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.31 111.06 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 111.099 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.629 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 79.9 tt0 -116.35 124.66 50.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 66.3 m95 -120.59 116.95 26.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.871 0.367 . . . . 0.0 110.927 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -98.63 119.85 38.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.373 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.711 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.5 m-85 -117.49 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.375 . . . . 0.0 110.794 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 18.0 p -50.09 -130.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . 0.83 ' O ' HG23 ' A' ' 182' ' ' THR . 9.9 tp -164.32 151.35 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.671 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.911 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.42 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.452 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 1.069 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.8 Cg_exo -34.34 12.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.838 0 C-N-CA 123.46 2.774 . . . . 0.0 112.679 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . 0.911 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.9 Cg_endo -79.86 -4.29 13.3 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.826 2.351 . . . . 0.0 112.136 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . 1.082 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.263 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.181 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.93 131.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.943 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 1.047 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 86.5 mt-30 -106.76 -115.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.241 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.9 t 145.64 173.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.76 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.429 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.45 -167.62 2.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.86 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.71 115.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.535 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . 0.695 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.3 mp -85.6 157.84 20.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -150.36 147.82 28.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.771 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . 0.569 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 68.6 mt -149.46 134.07 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.226 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -142.35 130.23 21.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.711 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.62 136.66 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.171 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . 0.759 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.53 141.58 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.961 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 44.7 t80 -145.58 87.13 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.772 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.7 p90 -100.06 87.76 3.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' GLU . . . . . 0.798 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 39.3 tt0 -129.43 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.292 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . 0.798 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.8 m-20 114.82 2.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.359 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.65 -129.08 1.08 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.6 t30 -172.84 99.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.817 0.341 . . . . 0.0 110.591 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.1 t -127.06 129.14 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.519 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' GLN . . . . . 0.711 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.7 mt-30 -136.74 154.21 50.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.444 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 206' ' ' LEU . 21.3 tp -122.31 87.2 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.683 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 12.7 t -90.06 122.19 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 23.3 t -149.56 147.25 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.957 0.408 . . . . 0.0 110.763 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . 0.47 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 34.5 p80 -157.86 145.1 18.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.229 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -135.43 129.04 32.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.924 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 191' ' ' VAL . 65.7 m-20 -103.57 129.82 50.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.241 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 213' ' ' GLN . 95.9 mt -127.19 154.85 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . 0.448 ' N ' HG22 ' A' ' 212' ' ' ILE . 58.6 tt0 -150.15 102.64 3.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.377 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' ASP . . . . . 0.651 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.7 t0 -118.89 166.1 13.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.685 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 1.047 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 25.7 p -117.8 103.4 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' VAL . . . . . 1.181 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.8 p -91.95 165.96 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.64 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . 1.082 ' HA ' ' O ' ' A' ' 185' ' ' THR . 8.0 pt20 -102.62 128.05 49.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 1.131 HG23 ' HB2' ' A' ' 186' ' ' ALA . 65.1 t -86.03 137.53 20.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.634 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.959 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.6 t -131.05 -99.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.517 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 224' ' ' THR . 0.2 OUTLIER -100.25 -163.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.541 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.5 p-10 -86.87 -62.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.492 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 97.9 t -70.13 -24.67 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.508 ' O ' ' HG3' ' A' ' 226' ' ' LYS . 36.4 mt-30 -73.98 -56.73 4.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.52 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.959 ' CG2' ' H ' ' A' ' 219' ' ' SER . 47.2 p -54.68 -36.87 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.56 -57.07 14.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.469 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' LYS . . . . . 0.568 ' HG3' ' N ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -57.07 -30.56 64.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.412 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.568 ' N ' ' HG3' ' A' ' 226' ' ' LYS . 72.9 tt0 -67.59 -38.78 84.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.433 ' CE1' HG11 ' A' ' 216' ' ' VAL . 37.5 m-85 -67.72 -53.92 23.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.398 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 229' ' ' ILE . 1.7 mp -52.23 -27.27 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.399 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -74.9 -36.67 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.359 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' ILE . . . . . 0.414 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.7 mt -67.52 -41.15 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.474 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' ILE . . . . . 0.45 HG12 ' CD2' ' A' ' 177' ' ' TRP . 55.1 mt -70.1 -44.49 78.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.384 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.1 -47.01 82.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.445 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -69.58 -43.95 71.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.443 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.13 -51.96 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.425 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -60.18 -44.09 95.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.448 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' ASN . . . . . 0.428 ' OD1' ' NH2' ' B' ' 544' ' ' ARG . 94.1 m-20 -60.06 -40.18 88.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.8 -34.31 73.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.494 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.52 -44.38 74.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.519 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -68.18 -38.97 82.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.523 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 20.1 m -61.5 -45.73 92.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.521 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.7 71.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.2 -47.5 73.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.509 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.0 p -60.67 -34.21 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.603 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.89 -42.96 84.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . 0.533 ' OD1' ' NZ ' ' B' ' 481' ' ' LYS . 97.9 m-20 -62.12 -34.53 76.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 247' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -64.95 -31.93 73.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.54 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -73.25 -50.91 19.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.54 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . 0.834 ' HA ' ' OD1' ' A' ' 252' ' ' ASP . 7.0 m -64.74 -34.82 79.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 36.6 mtt -72.88 -14.48 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.508 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.9 p -113.0 -10.1 13.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.603 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 252' ' ' ASP . . . . . 0.834 ' OD1' ' HA ' ' A' ' 249' ' ' THR . 19.7 p-10 -132.12 47.79 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 253' ' ' THR . . . . . 0.619 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.3 m 175.73 -79.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.582 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . 0.546 ' N ' HG22 ' A' ' 253' ' ' THR . 12.3 m -53.42 -61.32 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.573 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -47.69 -57.48 5.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.593 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -64.22 -11.77 34.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.3 -18.23 30.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.0 -91.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.626 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 259' ' ' ARG . . . . . 0.701 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 3.0 ttt180 -98.64 174.5 6.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 260' ' ' ARG . . . . . 0.701 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 10.6 tpp180 -109.2 153.23 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.582 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . 0.413 ' O ' HD12 ' A' ' 262' ' ' LEU . 47.4 tt0 -83.71 -11.24 57.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.49 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.61 133.24 3.11 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 263' ' ' PRO . . . . . 0.71 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.6 Cg_exo -43.95 135.43 7.82 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.913 2.408 . . . . 0.0 112.072 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 264' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 263' ' ' PRO . 78.7 t -37.84 -38.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.593 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 69.8 p -64.19 -5.44 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.624 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 266' ' ' ARG . . . . . 0.667 ' N ' ' O ' ' A' ' 263' ' ' PRO . 31.2 ttm180 54.13 55.62 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.466 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 267' ' ' THR . . . . . 0.632 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.27 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.425 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.632 ' C ' ' O ' ' A' ' 267' ' ' THR . 55.7 mtpt -16.8 131.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 269' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 270' ' ' ASP . 0.6 OUTLIER -50.25 158.47 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.791 ' O ' ' N ' ' A' ' 273' ' ' LYS . 88.6 m-20 -117.11 58.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 271' ' ' TRP . . . . . 0.599 ' C ' ' O ' ' A' ' 270' ' ' ASP . 82.3 m95 -21.49 -55.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 270' ' ' ASP . 21.6 t-20 -44.62 -25.59 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.622 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . 1.256 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.6 pttp -99.97 -7.7 24.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.626 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 274' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 274' ' ' ILE . 55.6 mt -103.15 -1.16 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.612 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . 0.721 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.6 mt -111.11 44.94 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.561 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . 1.289 ' O ' ' N ' ' A' ' 278' ' ' LYS . 5.0 p 141.93 -38.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 1.256 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 63.9 t80 -30.95 43.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 278' ' ' LYS . . . . . 1.289 ' N ' ' O ' ' A' ' 276' ' ' SER . 68.9 mttm -107.67 80.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 1.077 ' O ' ' O ' ' A' ' 280' ' ' GLY . 91.7 mt 54.19 3.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 1.077 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.14 0.0 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 49.5 tttp . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.549 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 302' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 46.1 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -42.75 -51.2 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.552 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -55.33 -34.2 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.462 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.3 mt-30 -60.69 -49.06 79.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.485 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.27 -40.62 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.407 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.9 -40.83 95.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.397 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 97.5 m -68.05 -37.21 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.422 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.715 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.21 -42.14 96.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.346 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 92.2 mt -67.32 -38.36 84.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.415 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.33 -33.64 74.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.37 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.86 -43.66 74.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.361 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.4 mmm -64.42 -25.58 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.391 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . 0.41 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 82.1 mtm180 -82.28 -12.41 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 315' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' B' ' 315' ' ' ARG . 50.3 mtt-85 -100.09 -46.82 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.6 147.75 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.7 128.49 21.37 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.836 2.357 . . . . 0.0 112.0 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 318' ' ' PRO . . . . . 0.436 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.1 Cg_endo -71.48 -4.1 14.34 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.896 2.397 . . . . 0.0 112.048 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . 0.468 ' NE2' ' CG ' ' B' ' 488' ' ' ASN . 79.1 mt-30 -80.52 -17.83 50.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.565 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -123.91 39.42 3.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.571 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 321' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' B' ' 318' ' ' PRO . 89.3 mt -63.36 -40.89 90.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.589 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.4 42.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.497 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -54.66 -55.8 25.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.477 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.555 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 44.7 tp -47.11 -48.98 22.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.404 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 44.8 t -57.08 -49.75 74.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.393 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -62.29 -40.78 97.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' LEU . . . . . 0.715 HD21 ' HB1' ' B' ' 309' ' ' ALA . 48.4 tp -55.5 -41.04 72.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.492 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.5 -41.12 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.462 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -57.81 -37.93 74.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.424 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 1.9 tp -71.26 -29.09 64.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.429 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 3.0 t -144.52 84.59 9.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.481 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -68.09 -5.58 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.736 2.291 . . . . 0.0 112.072 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 90.5 p -89.34 -6.45 56.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 98.2 mt -119.05 20.86 12.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.627 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' CYS . . . . . 0.441 ' SG ' HD11 ' B' ' 340' ' ' LEU . 10.9 t -64.07 -55.92 18.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.519 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.32 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -58.74 -36.17 73.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.51 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . 0.439 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 60.9 mt -79.08 -28.62 43.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 38.0 mt -81.51 12.46 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.572 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 54.4 p -144.17 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 53.4 p -119.37 -15.51 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.577 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 92.5 t -105.85 120.0 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.502 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -87.79 128.64 35.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.555 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.98 28.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.554 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.44 125.25 5.84 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.799 2.333 . . . . 0.0 112.149 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' B' ' 347' ' ' LEU . 97.1 mt -66.67 122.49 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.681 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.6 148.79 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.465 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 16.7 pt -102.96 136.38 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.755 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' ALA . . . . . 0.731 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.6 157.65 33.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -114.33 143.34 45.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.613 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.97 ' O ' ' N ' ' B' ' 356' ' ' GLY . 50.2 t0 -111.87 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.498 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 352' ' ' ASP . 68.6 mmtt -37.31 -62.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.581 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' B' ' 353' ' ' LYS . 94.8 t -39.48 -52.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.639 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 3.0 t -93.0 -25.48 4.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.97 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.7 70.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' B' ' 352' ' ' ASP . 97.9 mttt -115.12 154.93 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' ASP . . . . . 0.731 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 34.1 m-20 -94.8 143.07 26.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.58 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.691 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.7 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.566 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.13 156.66 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.496 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.9 mt -108.59 158.55 17.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.555 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 362' ' ' CYS . . . . . 0.537 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 24.6 p -168.21 168.65 11.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.55 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 25.9 t70 -75.49 -10.32 59.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.573 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 364' ' ' TYR . . . . . 0.485 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 36.6 m-85 -88.34 -18.17 29.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 365' ' ' ASN . . . . . 0.537 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 37.3 p-10 -123.27 24.76 8.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 366' ' ' ARG . . . . . 0.514 HH22 HD13 ' B' ' 340' ' ' LEU . 31.3 ttp180 -119.96 129.84 54.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.549 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -122.18 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 79.98 -98.71 1.73 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -126.31 8.75 7.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.561 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 370' ' ' SER . . . . . 1.039 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 19.8 p -122.38 161.33 23.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 371' ' ' TYR . . . . . 1.141 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.8 m-85 -118.25 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.527 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . 0.586 ' NH2' ' OE2' ' B' ' 397' ' ' GLU . 7.2 ttp180 -98.72 124.72 43.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.627 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 373' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 35.2 t -79.61 133.79 58.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.91 -14.73 19.13 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.859 2.373 . . . . 0.0 112.238 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -85.89 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 69.5 p -83.15 -18.6 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 377' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' B' ' 373' ' ' SER . 9.9 t30 70.27 40.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -141.55 137.87 32.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.632 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 379' ' ' TYR . . . . . 1.141 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 44.1 m-85 -65.72 140.45 58.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.672 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . 0.749 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.2 OUTLIER -51.94 -60.45 6.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.378 179.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 1.039 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.44 120.05 7.18 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 123.005 2.47 . . . . 0.0 112.269 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -41.54 79.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.955 2.437 . . . . 0.0 112.328 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.632 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.48 177.56 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.51 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.616 ' H ' ' CD2' ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.618 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -116.98 65.97 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.523 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.17 151.72 47.44 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 387' ' ' ALA . . . . . 0.553 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.97 127.26 30.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 110.592 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 46.1 mtm -132.23 148.55 70.21 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 389' ' ' PRO . . . . . 0.463 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.6 Cg_endo -72.93 150.73 49.58 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.815 2.343 . . . . 0.0 112.144 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 90.9 p -52.68 142.9 17.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.598 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.58 -43.78 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.537 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -67.91 -37.79 82.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.501 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.0 tp -70.89 -42.47 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.339 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.571 ' CZ ' ' ND2' ' B' ' 377' ' ' ASN . 44.2 ttm180 -55.32 -36.78 66.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.386 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -63.55 -46.56 85.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.354 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 5.1 tp -64.36 -32.0 73.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.331 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.586 ' OE2' ' NH2' ' B' ' 372' ' ' ARG . 83.4 tt0 -67.82 -37.99 82.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.08 -40.3 88.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.424 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.72 -37.02 79.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.312 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.13 -41.87 94.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.408 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 401' ' ' ASN . . . . . 0.43 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.5 m-80 -63.98 -39.03 93.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.318 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -72.18 -40.35 68.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.94 79.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.374 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -69.34 -29.23 67.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.435 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 22.0 m-20 -54.61 -38.83 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.453 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -77.08 -32.89 57.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.353 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 407' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' B' ' 407' ' ' TYR . 2.1 t80 -69.69 -18.68 63.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 408' ' ' ARG . . . . . 0.915 ' HE ' ' C ' ' B' ' 415' ' ' GLY . 0.6 OUTLIER -83.8 -35.49 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.537 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 409' ' ' ASP . . . . . 0.478 ' OD1' ' O ' ' B' ' 409' ' ' ASP . 3.0 t0 -85.17 -8.94 58.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 410' ' ' LEU . . . . . 0.677 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.3 mt -95.86 -17.9 20.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.549 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 411' ' ' TYR . . . . . 0.71 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.02 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.521 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' B' ' 412' ' ' PHE . 2.2 m-85 -100.63 -25.88 14.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.556 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 63.47 24.38 14.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.626 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . 0.51 ' O ' ' NE ' ' B' ' 408' ' ' ARG . . . 162.71 -154.45 25.41 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 415' ' ' GLY . . . . . 0.915 ' C ' ' HE ' ' B' ' 408' ' ' ARG . . . 76.36 -163.5 52.97 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 7.9 t -128.6 153.76 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.311 . . . . 0.0 110.519 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 18.3 p -143.65 148.48 35.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.675 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 22.7 m -148.2 143.9 27.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.426 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 58.5 t -132.84 130.25 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.755 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.543 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 60.6 m-85 -128.44 132.38 48.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.401 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.1 mt -119.61 158.43 26.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.74 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 422' ' ' TRP . . . . . 0.962 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 32.8 p90 -154.47 110.5 3.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.547 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -43.05 159.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.641 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 424' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' B' ' 429' ' ' ALA . 55.1 mt -127.83 -147.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . 0.457 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 34.2 m-20 -87.35 -49.86 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.511 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -129.78 30.66 4.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.73 -135.67 2.56 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.66 154.08 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.567 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . 0.962 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.594 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.67 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.9 p -130.06 126.4 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.828 0.347 . . . . 0.0 110.519 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.7 mp -103.39 113.69 40.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.524 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' B' ' 450' ' ' SER . 57.4 mt -102.93 143.18 32.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 434' ' ' ILE . . . . . 0.472 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.7 mt -148.71 119.89 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.572 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -122.55 127.53 49.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 436' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.16 119.57 15.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.595 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.85 138.14 40.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.636 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.43 45.22 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -50.64 128.0 19.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.603 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.61 9.8 75.82 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 12.7 t -110.37 -4.27 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.576 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.474 ' CE ' ' OD2' ' C' ' 644' ' ' ASP . 93.9 mttt -89.18 153.86 20.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.513 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -56.9 -43.8 81.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.658 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 64.4 mt -95.15 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.705 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.84 154.69 20.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.311 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.67 152.41 24.53 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 4.0 t -149.46 130.6 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.21 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 448' ' ' TRP . . . . . 0.536 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.6 t-105 -114.76 116.24 28.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 449' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' B' ' 449' ' ' ASP . 0.2 OUTLIER -109.5 127.16 54.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 450' ' ' SER . . . . . 0.482 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.4 m -115.89 122.76 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.968 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.94 100.8 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.193 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 5.3 m-70 -108.67 132.42 53.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 60.0 t -128.75 95.56 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.235 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 454' ' ' VAL . . . . . 0.424 HG22 ' N ' ' B' ' 455' ' ' GLU . 10.0 p -96.68 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 455' ' ' GLU . . . . . 0.424 ' N ' HG22 ' B' ' 454' ' ' VAL . 96.5 mt-10 -131.79 102.2 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.328 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.4 t -79.1 139.65 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.78 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.404 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 458' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.7 mt-10 -40.31 146.41 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.671 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 459' ' ' LYS . . . . . 0.413 ' CB ' ' O ' ' B' ' 464' ' ' THR . 65.1 tttm -109.33 142.01 40.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.512 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.0 p -49.0 -54.14 16.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.626 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.73 146.56 50.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.495 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 462' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.34 -12.82 47.99 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 463' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' B' ' 463' ' ' ARG . 0.9 OUTLIER 59.16 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.668 0.27 . . . . 0.0 110.56 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.514 ' H ' ' C ' ' B' ' 462' ' ' GLY . 3.5 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.476 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 465' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.73 151.91 32.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.745 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 466' ' ' HIS . . . . . 0.534 ' ND1' ' OD1' ' B' ' 500' ' ' ASP . 0.8 OUTLIER -92.97 126.54 38.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.14 139.45 38.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.954 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -135.82 86.13 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.203 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 469' ' ' LEU . . . . . 0.747 HD12 ' H ' ' B' ' 470' ' ' THR . 27.6 tp -82.12 157.59 24.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 470' ' ' THR . . . . . 0.747 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.9 m -157.86 62.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.066 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 17.9 m -64.64 174.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.127 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 472' ' ' THR . . . . . 0.51 HG23 ' OG1' ' B' ' 494' ' ' THR . 54.2 m -168.79 87.54 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.135 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 473' ' ' VAL . . . . . 0.457 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 96.0 t -69.65 143.83 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 474' ' ' MET . . . . . 0.463 ' HA ' ' HB3' ' B' ' 492' ' ' SER . 10.1 mtp -124.81 95.98 4.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.175 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 475' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' B' ' 532' ' ' TYR . 46.6 tp -86.64 131.21 34.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 476' ' ' TRP . . . . . 0.503 ' NE1' ' OD2' ' B' ' 449' ' ' ASP . 51.6 m95 -125.31 130.21 51.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.241 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 44.6 mt -137.36 124.67 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.921 0.391 . . . . 0.0 110.759 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 478' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.406 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 479' ' ' THR . . . . . 0.596 HG22 ' HB3' ' B' ' 487' ' ' MET . 7.5 t -163.42 127.47 2.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.691 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 480' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.15 73.74 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.595 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 481' ' ' LYS . . . . . 0.88 ' O ' ' N ' ' B' ' 485' ' ' GLY . 50.8 mtmt -107.56 146.69 31.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.567 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.31 -45.94 83.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.551 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.68 -25.24 68.77 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . 0.455 ' O ' ' N ' ' B' ' 486' ' ' THR . 25.9 p -125.91 14.83 7.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 485' ' ' GLY . . . . . 0.88 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.6 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 486' ' ' THR . . . . . 0.47 ' HG1' ' CE1' ' A' ' 209' ' ' HIS . 16.0 p -126.04 113.94 17.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 487' ' ' MET . . . . . 0.596 ' HB3' HG22 ' B' ' 479' ' ' THR . 13.6 ttt -125.06 118.06 25.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 488' ' ' ASN . . . . . 0.468 ' CG ' ' NE2' ' B' ' 319' ' ' GLN . 33.6 t-20 -119.0 124.04 46.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.59 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 489' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 14.7 tp -131.7 76.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.616 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.36 -163.86 21.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 491' ' ' GLY . . . . . 0.63 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.64 11.06 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 492' ' ' SER . . . . . 0.63 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 77.8 p 163.19 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.484 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.51 149.48 30.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.623 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 494' ' ' THR . . . . . 0.51 ' OG1' HG23 ' B' ' 472' ' ' THR . 54.7 m -127.12 142.85 51.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -149.96 128.77 12.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -92.88 160.57 14.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.494 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 36.6 tpp -160.06 130.39 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -133.5 141.65 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -172.25 145.81 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.578 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.534 ' OD1' ' ND1' ' B' ' 466' ' ' HIS . 41.6 m-20 -91.25 125.2 35.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -120.72 160.17 23.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 51.5 m -94.22 131.81 39.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.58 122.39 50.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.668 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 91.0 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.544 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.97 -35.85 77.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.1 p -83.64 -19.85 34.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.565 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 28.4 t -135.49 73.5 62.4 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.616 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.59 -172.6 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.785 2.324 . . . . 0.0 112.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -58.78 -62.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.529 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.4 mt -42.67 -49.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.603 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.16 72.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.65 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -63.02 -48.16 79.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.07 -33.63 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.588 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.74 -46.54 74.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -57.37 -44.31 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.68 0.276 . . . . 0.0 110.757 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.8 mt -63.17 -52.57 61.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.589 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.45 -47.17 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -57.96 -51.68 68.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.735 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.49 -37.57 87.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.712 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 35.8 tpp -64.35 -49.39 71.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.727 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.58 -45.29 93.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.74 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -56.87 -41.43 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.64 -38.5 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.748 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 96.0 mt -74.38 -24.39 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 525' ' ' ARG . . . . . 0.473 ' HG2' HH11 ' B' ' 525' ' ' ARG . 55.1 ttt-85 -68.74 -27.64 66.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 526' ' ' SER . . . . . . . . . . . . . 35.8 t -84.99 -38.79 18.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.643 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.0 m -66.08 -35.76 81.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.641 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.704 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 37.1 mt -64.97 -42.36 94.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.646 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.55 -31.29 70.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . 0.956 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.34 -54.48 7.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.625 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.7 mm -64.41 -61.5 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.559 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 532' ' ' TYR . . . . . 0.704 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 13.3 m-85 -50.28 -86.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 533' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.42 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.575 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . 0.956 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.8 tptt -56.91 -68.64 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 110.548 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -58.04 0.51 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -50.39 -53.21 30.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -53.26 -44.93 68.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.552 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 539' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' B' ' 543' ' ' LEU . 89.3 mt -61.7 -36.1 71.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.637 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.9 t -65.38 -42.05 92.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.648 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -69.76 -17.08 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.617 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.51 -27.32 48.1 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.463 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 15.1 mt -68.16 -51.35 46.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.726 0.298 . . . . 0.0 110.458 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 544' ' ' ARG . . . . . 0.762 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.86 170.1 16.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 545' ' ' SER . . . . . 0.762 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 39.9 t -142.17 137.87 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.553 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.14 -43.52 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.483 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -82.86 138.62 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 548' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.47 122.1 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.56 ' O ' ' N ' ' B' ' 551' ' ' ASP . 86.9 mt -79.47 112.73 31.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.562 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 550' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' B' ' 551' ' ' ASP . 75.0 Cg_exo -46.65 80.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.862 2.375 . . . . 0.0 112.087 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.565 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.8 p-10 -25.31 145.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.566 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 33.1 t-20 -129.91 116.14 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.56 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -85.23 -24.78 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.702 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 558' ' ' LEU . 65.8 tttm -52.58 -64.19 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -45.19 -56.66 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.706 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.58 -46.94 83.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.748 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 557' ' ' GLN . . . . . 0.412 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.8 tm0? -65.77 -29.69 70.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.818 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 554' ' ' LYS . 40.9 tp -77.84 -30.27 50.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.674 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -73.62 -36.37 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.672 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -58.19 -40.52 81.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 561' ' ' GLU . . . . . 0.577 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.6 mt-10 -67.8 -61.72 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.731 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.893 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 85.1 mt -49.14 -40.64 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.662 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.7 m -61.23 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.726 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 15.1 pt20 -36.66 -13.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.893 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 23.6 t -72.17 -42.67 66.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.587 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 563' ' ' SER . 48.3 mt -81.44 -35.64 30.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.56 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . 0.408 ' H ' HG23 ' B' ' 567' ' ' THR . 4.4 p -70.23 -19.63 63.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.592 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -117.47 6.6 12.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.742 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 34.0 ttt180 -160.95 -141.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.815 ' O ' HG22 ' B' ' 571' ' ' ILE . 39.3 tt0 139.72 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.674 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 571' ' ' ILE . . . . . 0.815 HG22 ' O ' ' B' ' 570' ' ' GLN . 3.0 tp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 75.1 mtp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 4.2 m 62.13 5.96 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 603' ' ' ASP . . . . . 0.408 ' O ' ' OD1' ' C' ' 603' ' ' ASP . 67.6 t0 -49.87 -37.77 32.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.66 -52.29 27.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.0 -28.98 56.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -75.61 -53.73 8.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 607' ' ' MET . . . . . 0.494 ' HG3' HD21 ' C' ' 632' ' ' LEU . 3.3 tmm? -72.7 -36.9 67.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -56.76 -15.97 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.578 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 609' ' ' ALA . . . . . 0.434 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.51 -50.59 13.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.618 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 610' ' ' LEU . . . . . 0.673 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.5 mp -66.36 2.06 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 611' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.9 tttm -102.13 -66.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.5 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -70.4 -4.21 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 613' ' ' GLY . . . . . 0.567 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.94 58.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 614' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.3 m-20 -63.91 49.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.32 . . . . 0.0 110.532 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 615' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' C' ' 613' ' ' GLY . 2.2 pp -45.06 -17.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.554 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 616' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' C' ' 614' ' ' ASP . 48.7 t0 -77.71 -27.56 50.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 617' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' C' ' 614' ' ' ASP . 47.6 tp10 -81.52 -49.78 10.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 618' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.84 -28.43 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.6 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 619' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 36.6 ttmt -66.14 -21.88 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 620' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 96.5 m-20 -75.41 -45.39 39.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.625 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 621' ' ' TYR . . . . . 0.407 ' OH ' ' OD2' ' C' ' 627' ' ' ASP . 62.0 t80 -60.94 -59.17 5.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.591 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 10.3 m -57.71 -27.89 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.598 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 623' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.69 -16.8 6.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -64.77 -76.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.64 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 625' ' ' GLY . . . . . 0.483 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.86 82.45 0.1 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 626' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' C' ' 625' ' ' GLY . 9.5 tm-20 34.17 95.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.587 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 627' ' ' ASP . . . . . 0.407 ' OD2' ' OH ' ' C' ' 621' ' ' TYR . 64.9 t0 -140.96 62.65 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.617 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 628' ' ' VAL . . . . . 0.515 HG21 ' H ' ' C' ' 658' ' ' GLY . 10.3 m -121.98 77.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.485 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -173.09 5.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.633 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 630' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' C' ' 631' ' ' THR . 40.4 ttm180 -79.06 166.89 21.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.474 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.07 87.59 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.633 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 47.0 tp -31.27 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.69 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.423 ' OE1' HG13 ' A' ' 264' ' ' VAL . 6.9 tp10 -71.72 -76.76 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 634' ' ' GLY . . . . . 0.418 ' CA ' HH21 ' A' ' 266' ' ' ARG . . . -153.74 -11.38 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 635' ' ' GLY . . . . . 0.531 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.41 22.78 0.18 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.92 164.88 21.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.791 0.329 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 637' ' ' LYS . . . . . 0.577 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.99 37.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 638' ' ' PRO . . . . . 0.475 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.5 Cg_endo -73.67 25.04 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.846 2.364 . . . . 0.0 112.111 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 639' ' ' LEU . . . . . 0.72 HD23 ' HG3' ' C' ' 671' ' ' PRO . 13.9 tp -117.72 -16.36 10.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 640' ' ' HIS . . . . . 0.516 ' CE1' ' OG ' ' C' ' 674' ' ' SER . 86.3 t60 -75.23 -43.85 49.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.524 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -71.67 -35.92 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.557 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 642' ' ' ALA . . . . . 0.678 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.93 -44.99 75.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.541 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.47 63.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 644' ' ' ASP . . . . . 0.594 ' O ' ' OD1' ' C' ' 644' ' ' ASP . 27.4 t0 -60.67 -35.64 76.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.545 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 645' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 29.0 p -160.9 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 646' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.05 4.49 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 647' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.9 mm100 51.74 4.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 648' ' ' LEU . . . . . 0.973 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 7.01 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.526 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -115.74 -12.61 11.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.605 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 650' ' ' ILE . . . . . 0.865 ' O ' HD12 ' C' ' 654' ' ' LEU . 1.3 mm -87.47 -36.24 9.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 1.111 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.36 -52.88 61.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.558 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 652' ' ' GLU . . . . . 0.743 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 72.0 mm-40 -56.22 -22.61 30.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 653' ' ' PHE . . . . . 0.975 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.2 OUTLIER -75.78 -97.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.608 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 654' ' ' LEU . . . . . 0.978 HD22 ' O ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.41 6.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.622 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 655' ' ' LEU . . . . . 0.975 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.4 tp -102.88 -47.94 4.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.4 tp -59.19 -25.47 63.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.551 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.73 -90.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.564 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 658' ' ' GLY . . . . . 0.597 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.38 -109.07 0.01 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 659' ' ' ALA . . . . . 0.713 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.09 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.563 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 660' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' C' ' 662' ' ' ASN . 97.7 m-20 -57.34 10.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 661' ' ' ILE . . . . . 0.713 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.6 tt -66.08 1.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 662' ' ' ASN . . . . . 1.113 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 49.6 p30 -163.63 -18.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.531 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 663' ' ' ALA . . . . . 0.773 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.06 -33.69 0.28 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.621 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 664' ' ' PRO . . . . . 1.113 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 74.7 Cg_exo -46.93 120.87 4.48 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.834 2.356 . . . . 0.0 112.12 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -125.94 -50.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.513 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -78.79 -16.08 57.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 667' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.52 -6.28 57.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.588 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 668' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' C' ' 667' ' ' HIS . 51.0 p-80 40.62 37.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.587 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 669' ' ' ILE . . . . . 0.477 HG22 ' O ' ' C' ' 667' ' ' HIS . 15.7 tt -176.86 147.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 670' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.15 168.67 10.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.527 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 671' ' ' PRO . . . . . 0.72 ' HG3' HD23 ' C' ' 639' ' ' LEU . 37.1 Cg_endo -72.47 -30.5 12.31 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.857 2.371 . . . . 0.0 112.125 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.53 HD12 HD23 ' C' ' 687' ' ' LEU . 7.6 tt -45.35 -49.11 13.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.534 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 673' ' ' LEU . . . . . 0.616 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 8.4 mp -67.83 -27.78 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 674' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' C' ' 678' ' ' GLU . 5.4 t -51.77 -40.89 61.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.546 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 675' ' ' ALA . . . . . 0.608 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.54 -29.97 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 676' ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 20.8 t -47.24 -66.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.524 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 677' ' ' TYR . . . . . 0.564 ' CZ ' ' OG1' ' A' ' 249' ' ' THR . 0.1 OUTLIER -77.76 39.3 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.617 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 678' ' ' GLU . . . . . 0.608 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 71.3 mm-40 -124.54 -28.65 3.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.509 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.29 -11.35 72.32 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 680' ' ' HIS . . . . . 0.906 ' O ' ' N ' ' C' ' 682' ' ' SER . 66.7 m80 -71.93 -53.57 12.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.593 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 681' ' ' VAL . . . . . 0.754 ' O ' HG22 ' C' ' 684' ' ' VAL . 5.3 m 43.28 -4.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.562 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 682' ' ' SER . . . . . 0.906 ' N ' ' O ' ' C' ' 680' ' ' HIS . 1.9 m -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 683' ' ' CYS . . . . . 0.659 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.6 p -90.93 -48.65 6.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.559 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 684' ' ' VAL . . . . . 0.754 HG22 ' O ' ' C' ' 681' ' ' VAL . 3.7 m -41.93 -34.93 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 685' ' ' LYS . . . . . 0.851 ' O ' HD12 ' C' ' 688' ' ' LEU . 64.0 tttp -62.52 -73.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.587 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.99 1.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.527 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 687' ' ' LEU . . . . . 0.53 HD23 HD12 ' C' ' 672' ' ' LEU . 34.9 tp -81.85 -70.26 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.578 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 688' ' ' LEU . . . . . 1.347 HD13 ' N ' ' C' ' 689' ' ' SER . 0.0 OUTLIER -45.7 -21.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.516 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 689' ' ' SER . . . . . 1.347 ' N ' HD13 ' C' ' 688' ' ' LEU . 58.2 m -55.81 -21.51 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.481 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -99.64 -6.33 27.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 691' ' ' GLY . . . . . 1.087 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.87 0.42 Allowed Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 692' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 110.579 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 693' ' ' ASP . . . . . 1.087 ' N ' ' O ' ' C' ' 691' ' ' GLY . 39.4 t0 33.12 -128.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.596 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 694' ' ' LYS . . . . . 0.493 ' O ' HG23 ' C' ' 695' ' ' THR . 24.6 pttm -152.51 -23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 695' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 694' ' ' LYS . 25.4 p -156.49 73.48 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.51 -29.6 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.634 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -140.14 23.5 2.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.626 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.65 142.76 20.36 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 699' ' ' PRO . . . . . 0.659 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 83.1 Cg_exo -44.82 -27.71 2.58 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.881 2.387 . . . . 0.0 112.114 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 700' ' ' ASP . . . . . 0.659 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 35.0 t0 157.7 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 701' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.36 89.13 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 702' ' ' LEU . . . . . 0.646 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.0 tp -53.8 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.371 . . . . 0.0 110.587 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 703' ' ' THR . . . . . 0.888 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 0.0 OUTLIER 16.19 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.585 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 704' ' ' ALA . . . . . 0.55 ' H ' HG23 ' C' ' 703' ' ' THR . . . -106.62 -18.64 13.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.563 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 705' ' ' LEU . . . . . 0.563 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 2.8 tp -62.89 -75.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.596 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -80.77 15.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.485 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . 0.888 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.73 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 708' ' ' THR . . . . . 0.437 HG22 ' H ' ' C' ' 709' ' ' ASP . 0.4 OUTLIER -139.76 -142.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.623 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 709' ' ' ASP . . . . . 0.437 ' H ' HG22 ' C' ' 708' ' ' THR . 54.5 p30 -148.81 -4.49 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.551 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -72.56 151.79 42.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -71.49 -20.51 62.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.4 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.624 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.99 -37.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -52.06 -29.93 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.18 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 716' ' ' LEU . . . . . 1.053 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.9 tp -161.08 98.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 717' ' ' LEU . . . . . 1.053 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.5 mp 124.14 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.597 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 718' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 7.5 tp-100 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.625 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.434 ' NH1' ' HG2' ' A' ' 7' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.763 HG13 ' O ' ' A' ' 8' ' ' VAL . 13.6 p -54.14 94.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.74 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -45.9 163.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.633 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.1 m-20 -64.95 -33.64 76.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.576 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.51 -39.3 87.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.515 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.53 -41.0 85.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.619 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.69 -35.9 82.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.551 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 10' ' ' ASP . 76.8 t -65.25 -43.78 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' NH2' ' CB ' ' A' ' 18' ' ' ALA . 8.8 tpm_? -61.53 -39.73 92.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.39 -47.45 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.506 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.76 -34.93 75.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.6 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' CB ' ' NH2' ' A' ' 15' ' ' ARG . . . -70.08 -37.68 75.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.563 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 38.2 ttmt -65.91 -41.28 91.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.51 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -65.24 -44.84 86.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.612 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.5 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.588 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.404 HG21 ' OE1' ' A' ' 56' ' ' GLN . 52.1 p -75.98 8.4 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.631 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.566 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.3 m80 -123.69 15.3 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.95 81.74 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.502 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.561 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 15.9 Cg_endo -68.19 167.52 21.77 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.819 2.346 . . . . 0.0 112.061 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.456 ' O ' ' OE1' ' A' ' 28' ' ' GLU . 53.5 Cg_endo -70.95 116.25 4.61 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.691 2.26 . . . . 0.0 112.125 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.14 21.47 35.44 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.561 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 55.7 mp0 -149.3 37.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 54.7 p90 -73.93 -48.82 27.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.546 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.614 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 24.2 p-10 -57.04 -57.39 12.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.56 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' CD ' HH21 ' B' ' 315' ' ' ARG . 97.6 mt-10 -44.5 -54.42 6.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.487 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' O ' HG23 ' A' ' 36' ' ' VAL . 53.6 t -60.85 -42.44 92.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.619 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 31.9 t80 -59.2 -50.9 72.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -60.04 -37.87 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.689 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -64.16 -42.05 96.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 32' ' ' VAL . 97.0 t -66.97 -41.91 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -56.35 -54.8 41.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD13 ' SG ' ' B' ' 308' ' ' CYS . 58.1 mt -59.35 -34.75 72.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.9 mt -73.27 -49.74 26.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.625 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD12 HD22 ' B' ' 331' ' ' LEU . 13.4 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.526 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.481 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.62 49.7 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.481 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 8.1 m120 -168.63 79.89 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.89 -37.92 54.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.595 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -54.11 -44.18 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.602 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.3 -30.84 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.634 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.57 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 39.7 tp -62.7 -38.74 91.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.586 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 -66.21 -35.53 80.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.583 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -40.94 -59.86 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.582 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.85 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.12 -56.77 3.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.602 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.52 87.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.517 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -54.26 -37.08 64.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.586 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.42 -54.41 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.589 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.6 -56.6 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.537 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 51.5 tt0 -33.55 -45.89 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -60.08 -72.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.558 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -46.95 -30.89 2.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 61' ' ' GLN . 83.1 mtp -68.9 -66.58 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -67.85 9.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 63' ' ' THR . 12.2 mm100 -124.47 24.74 7.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.641 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 83.1 m-85 23.95 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 61' ' ' GLN . 28.1 m -58.85 111.3 3.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.616 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.64 115.19 4.13 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.897 2.398 . . . . 0.0 112.241 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.632 HG22 ' N ' ' A' ' 66' ' ' LYS . 10.6 p -109.34 165.93 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.497 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.632 ' N ' HG22 ' A' ' 65' ' ' VAL . 63.0 tttm -125.19 103.98 8.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.568 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.654 ' O ' ' C ' ' A' ' 68' ' ' GLU . 44.5 mt -51.54 148.33 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.631 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.654 ' C ' ' O ' ' A' ' 67' ' ' ILE . 10.3 tm-20 -13.24 -78.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.514 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.45 75.11 0.32 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.796 ' O ' ' N ' ' A' ' 72' ' ' ASP . 64.3 m-85 -137.48 14.75 2.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.582 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.617 ' C ' ' O ' ' A' ' 70' ' ' TYR . 58.1 t0 20.14 39.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.489 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 1.064 ' O ' ' N ' ' A' ' 74' ' ' VAL . 37.7 t0 -98.75 19.44 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.618 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.707 ' C ' ' O ' ' A' ' 72' ' ' ASP . 74.3 mm-40 -0.3 50.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.508 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.064 ' N ' ' O ' ' A' ' 72' ' ' ASP . 13.7 p -63.98 173.29 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.601 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.733 ' N ' HG22 ' A' ' 74' ' ' VAL . 48.2 mt -113.28 152.26 30.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.553 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.2 mt -104.06 105.52 18.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 78' ' ' GLU . 2.8 t -130.13 -176.9 4.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' OG1' ' A' ' 77' ' ' THR . 21.1 pt-20 -78.76 -31.29 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.516 ' CE1' HD13 ' A' ' 155' ' ' ILE . 87.2 m-70 -64.02 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.503 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.21 15.69 50.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.879 -0.889 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -85.49 100.0 11.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 82' ' ' LEU . 35.1 tp -49.6 -51.54 36.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.577 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.17 -0.66 25.38 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -116.1 1.19 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.599 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.22 -15.8 9.31 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.691 ' HG2' HH11 ' A' ' 86' ' ' ARG . 9.6 mtt-85 -108.41 168.73 9.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.527 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 54.2 m-85 -114.53 -170.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.534 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.0 tp -118.27 157.35 27.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.715 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.735 ' HB3' HD13 ' A' ' 94' ' ' ILE . 52.0 t0 -139.27 89.01 12.54 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.5 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 11.9 Cg_endo -61.02 -36.71 81.2 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.852 2.368 . . . . 0.0 112.027 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.0 OUTLIER -59.39 -75.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.474 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -76.48 -20.31 57.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.562 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 6.8 mtmp? 62.76 61.98 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.555 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.735 HD13 ' HB3' ' A' ' 89' ' ' ASP . 0.2 OUTLIER -146.48 154.43 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.818 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 3.5 t -92.62 133.04 36.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.581 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 32.7 p90 -140.14 136.62 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.696 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.1 tttt -88.67 113.37 24.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.617 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.869 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 51.8 t80 -82.63 133.09 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.642 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 2.4 m-20 -104.52 90.14 3.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.546 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.641 ' N ' ' CD2' ' A' ' 100' ' ' HIS . 0.0 OUTLIER -36.46 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.589 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.526 ' N ' HD22 ' A' ' 101' ' ' LEU . 4.3 mm? -47.38 -81.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.566 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -52.73 156.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.584 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -88.9 2.3 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.528 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -117.18 150.26 39.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.584 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.869 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.28 79.71 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.57 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 49.7 m -95.58 -164.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.443 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.9 t0 73.76 54.48 0.28 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.575 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.818 ' HA ' ' O ' ' A' ' 95' ' ' SER . 57.4 Cg_endo -73.49 -177.81 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.859 2.373 . . . . 0.0 112.086 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.814 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.15 124.54 2.09 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.527 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -47.09 130.95 17.05 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.907 2.405 . . . . 0.0 112.036 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.698 ' O ' ' CG ' ' A' ' 111' ' ' GLU . 8.1 pt-20 -122.9 102.47 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 50.2 p-10 -75.44 88.4 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.1 t -46.95 164.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.616 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t 71.95 35.68 1.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.488 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.8 -59.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.5 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.669 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 55.5 tp -104.08 3.35 33.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.541 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 119' ' ' GLN . 87.2 tttt -53.96 -41.94 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 118' ' ' LYS . 93.4 mm-40 -39.2 -55.98 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.51 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -62.54 -47.57 83.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.555 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.57 ' O ' ' C ' ' A' ' 122' ' ' ASP . 9.4 tmm_? -53.93 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.563 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.57 ' C ' ' O ' ' A' ' 121' ' ' ARG . 42.2 t0 -25.51 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.498 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.97 -67.19 0.46 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.564 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 81.2 m -51.15 -48.57 61.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.55 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.46 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.2 t0 -40.41 -80.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.611 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.546 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 22.6 m -48.01 -46.23 32.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.464 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.47 33.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.73 -12.33 60.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.494 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.639 ' O ' ' NE ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.4 -32.71 74.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 -179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.625 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.65 -39.25 24.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.557 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 20.1 t80 -54.8 -38.79 67.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.571 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 136' ' ' TYR . 6.4 p -74.75 -40.51 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.503 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.451 ' N ' HG13 ' A' ' 132' ' ' VAL . 51.8 tttm -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.619 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 73.5 m-20 -147.56 7.68 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.765 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 59.7 m-70 -151.04 -21.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.587 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 39.2 m-85 -114.69 106.54 51.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.458 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.64 -57.2 2.32 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.796 2.331 . . . . 0.0 112.028 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -127.53 50.09 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.54 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.59 12.64 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.583 ' HB2' HD21 ' A' ' 75' ' ' LEU . 51.2 m-85 -135.07 158.16 45.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.79 0.329 . . . . 0.0 110.594 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 2.5 p -129.51 162.27 28.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 98.7 m -161.37 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.5 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 46.1 t -75.78 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.561 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 57.4 m-85 -120.18 124.24 45.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.596 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.7 84.52 0.37 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.405 ' HG2' ' H ' ' A' ' 147' ' ' SER . 30.8 ttpt -123.78 167.37 14.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.855 0.359 . . . . 0.0 110.519 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.405 ' H ' ' HG2' ' A' ' 146' ' ' LYS . 14.6 p -107.58 115.4 30.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.494 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 35.6 mm -91.17 104.06 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.635 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 54.5 t0 46.72 54.22 9.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.82 -62.81 4.17 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -53.77 129.79 34.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.325 . . . . 0.0 110.65 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.637 ' H ' HG21 ' A' ' 181' ' ' ILE . 79.5 mt-30 -85.73 150.48 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.396 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.5 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.683 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.506 HD13 HD21 ' A' ' 117' ' ' LEU . 9.1 mm -108.48 110.06 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.413 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 54.3 mt -98.12 117.09 42.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.417 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 116.06 27.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.229 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 52.9 m -106.15 135.44 47.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 7.6 mt -122.76 137.71 55.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.521 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.2 tm-20 -131.32 151.93 51.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.978 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.725 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -170.89 121.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.251 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 1.2 p80 -140.66 170.61 15.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.965 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 97.7 mm-40 -148.65 77.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.218 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -65.36 147.45 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.608 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 6.3 tp-100 -167.98 66.08 0.73 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.333 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.683 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.4 Cg_endo -60.7 -52.06 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.768 2.312 . . . . 0.0 112.14 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -43.94 -8.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.455 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . 0.683 ' N ' ' O ' ' A' ' 165' ' ' PRO . 2.8 t-20 -121.93 -10.46 8.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.562 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.82 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 43.8 m-85 70.07 80.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.585 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.82 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 21.6 p-90 158.78 127.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.734 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . 0.559 ' ND2' ' OE2' ' A' ' 28' ' ' GLU . 62.4 m-20 -135.98 162.31 33.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.351 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.508 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.17 29.05 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 40.6 ttm180 -165.7 136.64 3.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.706 0.288 . . . . 0.0 110.356 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' TRP . . . . . 0.873 ' CE3' HD11 ' A' ' 194' ' ' ILE . 6.3 t-105 -107.6 138.91 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.894 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.55 ' NH2' ' OE1' ' A' ' 61' ' ' GLN . 95.4 mtt180 -125.32 152.24 44.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.212 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.423 ' HG ' ' C ' ' A' ' 174' ' ' ARG . 0.8 OUTLIER -166.27 111.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.031 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.64 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.1 tt0 -116.4 124.68 50.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.137 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.652 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 69.0 m95 -120.62 116.95 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 110.879 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -98.59 119.83 37.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.368 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.72 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.1 m-85 -117.52 88.63 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.682 ' O ' ' O ' ' A' ' 179' ' ' PHE . 80.9 p -50.13 -131.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . 0.756 ' O ' ' HB ' ' A' ' 182' ' ' THR . 9.7 tp -164.31 151.32 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.643 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 1.335 ' OG1' ' HG3' ' A' ' 184' ' ' PRO . 9.6 t 149.77 61.44 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.458 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 1.042 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 77.8 Cg_exo -34.38 12.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 123.413 2.742 . . . . 0.0 112.69 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . 1.335 ' HG3' ' OG1' ' A' ' 182' ' ' THR . 42.9 Cg_endo -79.79 -4.35 13.38 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.858 2.372 . . . . 0.0 112.172 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . 1.037 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 0.1 OUTLIER 159.35 -18.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.257 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.172 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.86 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.936 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 1.121 ' O ' HG23 ' A' ' 188' ' ' VAL . 78.1 mt-30 -106.7 -114.99 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.277 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.121 HG23 ' O ' ' A' ' 187' ' ' GLN . 4.6 t 145.65 173.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.748 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.348 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.64 2.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.863 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.8 p -165.7 115.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.534 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . . . . . . . . . 57.3 mt -85.57 157.8 20.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 174' ' ' ARG . 27.0 mttt -150.33 147.82 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.788 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . 0.873 HD11 ' CE3' ' A' ' 173' ' ' TRP . 0.9 OUTLIER -149.43 134.09 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.262 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.501 ' NE2' ' OE1' ' A' ' 205' ' ' GLN . 57.8 tt0 -142.38 130.28 21.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.699 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.3 t -132.64 136.65 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.147 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . 0.761 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 76.7 t60 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.976 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' TYR . . . . . 0.521 ' CD2' ' CB ' ' A' ' 169' ' ' TRP . 1.5 t80 -145.59 87.07 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.347 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.575 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.9 t80 -100.03 87.78 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' GLU . . . . . 0.793 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 32.8 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.328 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . 0.793 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 61.6 t0 114.84 2.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.42 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.67 -129.15 1.08 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 61.7 t-20 -172.84 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.592 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.1 t -127.03 129.19 71.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' GLN . . . . . 0.699 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 3.8 tt0 -136.79 154.1 50.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.525 HD12 ' O ' ' B' ' 488' ' ' ASN . 10.6 tp -122.23 87.2 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.708 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . 0.582 ' CG2' ' NE2' ' A' ' 205' ' ' GLN . 16.4 t -90.03 122.2 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.412 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 6.1 p -149.61 147.23 27.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.958 0.409 . . . . 0.0 110.757 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . 0.504 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 30.1 p80 -157.85 145.05 18.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.209 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -135.42 129.08 32.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 0.0 110.901 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -103.58 129.85 50.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.189 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 19.6 tt -127.15 154.93 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.943 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -150.19 102.62 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.337 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' ASP . . . . . 0.654 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 43.3 t0 -118.87 166.04 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.672 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 1.05 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 66.1 m -117.76 103.39 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.447 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' VAL . . . . . 1.172 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 70.6 t -91.96 166.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . 1.037 ' HA ' ' O ' ' A' ' 185' ' ' THR . 83.9 mt-30 -102.63 128.0 49.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.593 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 1.051 HG23 ' HB2' ' A' ' 186' ' ' ALA . 54.8 t -86.02 137.55 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.572 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.967 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.7 t -131.07 -99.06 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 224' ' ' THR . 3.5 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.561 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 221' ' ' ASP . 19.5 p-10 -86.8 -62.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.457 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 14.5 p -70.05 -24.69 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.515 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -73.98 -56.77 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.539 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.967 ' CG2' ' H ' ' A' ' 219' ' ' SER . 53.5 p -54.59 -36.91 64.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.496 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.55 -57.13 14.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.439 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.04 -30.58 64.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -67.6 -38.7 84.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.449 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -67.79 -53.96 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 225' ' ' ALA . 13.0 mm -52.16 -27.34 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.384 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -74.8 -36.78 62.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.373 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' ILE . . . . . 0.437 HG13 HG21 ' A' ' 216' ' ' VAL . 4.6 mm -67.49 -41.22 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.459 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' ILE . . . . . 0.49 HG23 ' CE2' ' A' ' 177' ' ' TRP . 49.8 mt -70.01 -44.53 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.432 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -57.06 -46.99 82.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.509 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -69.63 -43.9 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.435 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.1 -51.96 61.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' GLU . . . . . 0.435 ' OE2' ' OH ' ' A' ' 136' ' ' TYR . 68.6 tt0 -60.2 -44.13 95.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.487 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' ASN . . . . . 0.5 ' HA ' HH12 ' B' ' 544' ' ' ARG . 92.5 m-20 -60.0 -40.28 88.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -69.72 -34.37 73.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.52 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . 0.697 ' CE2' HD11 ' A' ' 243' ' ' ILE . 49.6 t80 -68.45 -44.38 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.521 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 240' ' ' GLN . . . . . 0.758 ' HA ' HD12 ' A' ' 243' ' ' ILE . 55.2 tt0 -68.19 -39.02 82.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 76.2 m -61.43 -45.82 92.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.64 71.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.54 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 240' ' ' GLN . 62.7 mt -69.25 -47.45 73.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.511 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 81.3 p -60.7 -34.21 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.588 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -66.89 -42.94 84.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.563 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 250' ' ' MET . 98.6 m-20 -62.12 -34.59 76.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 247' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 250' ' ' MET . 0.7 OUTLIER -64.93 -31.92 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -73.18 -50.91 19.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' ' 253' ' ' THR . 22.8 p -64.78 -34.84 79.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.579 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 247' ' ' TYR . 2.5 ptp -72.86 -14.49 61.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.512 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.1 p -113.0 -10.08 13.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.559 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 252' ' ' ASP . . . . . 0.626 ' O ' ' OG1' ' A' ' 253' ' ' THR . 38.5 t70 -132.13 47.74 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 253' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 4.4 m 175.72 -78.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . 0.56 ' N ' HG22 ' A' ' 253' ' ' THR . 10.9 m -53.54 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -47.69 -57.52 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -64.2 -11.77 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.602 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.33 -18.16 30.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.544 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.8 mt -78.04 -91.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.587 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 259' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ2' ' B' ' 448' ' ' TRP . 0.1 OUTLIER -98.58 174.49 6.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 260' ' ' ARG . . . . . 0.999 ' O ' ' CZ ' ' B' ' 411' ' ' TYR . 32.9 mmt180 -109.19 153.24 24.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . 0.435 ' O ' HD12 ' A' ' 262' ' ' LEU . 84.3 mt-30 -83.75 -11.2 57.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.3 OUTLIER -163.63 133.28 3.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.495 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 263' ' ' PRO . . . . . 0.699 ' O ' ' N ' ' A' ' 266' ' ' ARG . 76.8 Cg_exo -44.0 135.44 7.96 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.895 2.397 . . . . 0.0 112.064 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 264' ' ' VAL . . . . . 0.455 HG23 ' N ' ' A' ' 265' ' ' THR . 6.2 m -37.8 -38.97 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.617 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 265' ' ' THR . . . . . 0.492 ' O ' HG22 ' A' ' 267' ' ' THR . 3.4 m -64.13 -5.5 4.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.645 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 266' ' ' ARG . . . . . 0.699 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.8 ttm180 54.2 55.58 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 267' ' ' THR . . . . . 0.633 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.5 t 173.25 114.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.633 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.4 mttt -16.79 131.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 269' ' ' ILE . . . . . 0.561 HD12 ' H ' ' A' ' 269' ' ' ILE . 3.7 mp -50.25 158.44 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.497 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.803 ' O ' ' N ' ' A' ' 273' ' ' LYS . 98.9 m-20 -117.02 58.5 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 271' ' ' TRP . . . . . 0.597 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.44 -55.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.2 t-20 -44.65 -25.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.585 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . 1.248 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 4.9 tttt -99.96 -7.73 24.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 274' ' ' ILE . . . . . 0.945 ' O ' HD12 ' A' ' 274' ' ' ILE . 0.7 OUTLIER -103.24 -1.13 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . 0.727 ' O ' ' CB ' ' A' ' 276' ' ' SER . 8.6 mt -111.16 45.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . 1.297 ' O ' ' N ' ' A' ' 278' ' ' LYS . 8.0 m 141.9 -38.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 1.248 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 78.4 t80 -31.02 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.636 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 278' ' ' LYS . . . . . 1.297 ' N ' ' O ' ' A' ' 276' ' ' SER . 64.8 tttp -107.72 80.92 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.589 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' A' ' 280' ' ' GLY . 96.1 mt 54.18 3.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.585 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 1.069 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.67 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 25.1 pttm . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.51 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 302' ' ' SER . . . . . 0.499 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 7.4 t . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -42.8 -51.2 5.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.483 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -55.33 -34.16 63.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.489 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' B' ' 302' ' ' SER . 84.6 mt-30 -60.74 -49.07 78.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.4 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.9 tp -57.29 -40.59 78.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.41 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.96 -40.79 95.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.356 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 308' ' ' CYS . . . . . 0.429 ' SG ' HD13 ' A' ' 38' ' ' LEU . 79.6 m -68.13 -37.17 80.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.352 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.713 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.25 -42.09 96.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.338 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 87.5 mt -67.36 -38.36 84.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.381 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.36 -33.65 74.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.315 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.3 tp -68.78 -43.74 75.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.411 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 76.6 mmm -64.36 -25.64 68.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.381 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -82.28 -12.37 58.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.406 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 315' ' ' ARG . . . . . 0.566 HH11 ' HG2' ' B' ' 315' ' ' ARG . 27.4 mmt-85 -100.09 -46.89 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.519 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.56 147.72 95.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.6 128.41 20.91 Favored 'Trans proline' 0 C--N 1.303 -1.816 0 C-N-CA 122.838 2.359 . . . . 0.0 112.026 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 318' ' ' PRO . . . . . 0.498 ' HA ' HG12 ' B' ' 321' ' ' ILE . 38.4 Cg_endo -71.48 -4.07 14.27 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.88 2.387 . . . . 0.0 112.056 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . 0.522 ' NE2' HG21 ' A' ' 207' ' ' VAL . 7.1 pt20 -80.53 -17.79 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.591 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -123.96 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.497 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 321' ' ' ILE . . . . . 0.498 HG12 ' HA ' ' B' ' 318' ' ' PRO . 4.8 mm -63.41 -40.92 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.541 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -59.72 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -54.61 -54.4 42.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.504 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -54.72 -55.78 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 42.9 tp -47.12 -48.95 22.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.6 t -57.02 -49.78 74.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.417 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' LEU . . . . . 0.713 HD21 ' HB1' ' B' ' 309' ' ' ALA . 63.7 tp -55.56 -40.98 72.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.53 -41.15 90.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.396 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.77 -37.95 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.458 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.2 mt -71.26 -29.06 64.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.411 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.3 t -144.6 84.62 9.0 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.444 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.1 -5.6 15.15 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.774 2.316 . . . . 0.0 112.059 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.4 m -89.29 -6.47 56.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.61 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.479 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 95.4 mt -119.01 20.86 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' CYS . . . . . . . . . . . . . 17.1 t -64.1 -55.87 18.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.534 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -60.39 -50.44 73.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.456 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -58.72 -36.18 73.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.523 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . 0.479 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 71.6 mt -79.06 -28.66 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.586 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' LEU . . . . . 0.639 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 41.6 mt -81.45 12.39 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.596 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 58.5 p -144.15 -3.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.1 t -119.39 -15.48 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.6 t -105.85 120.03 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -87.85 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.61 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.465 ' HB2' ' HD2' ' B' ' 346' ' ' PRO . 0.4 OUTLIER -129.27 165.94 28.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 345' ' ' GLN . 84.9 Cg_exo -44.48 125.24 5.89 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.796 2.331 . . . . 0.0 112.168 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 347' ' ' LEU . 93.9 mt -66.63 122.46 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -88.62 148.77 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.44 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 21.1 tt -102.94 136.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.72 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' ALA . . . . . 0.725 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.66 33.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.463 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -114.37 143.36 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.571 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.963 ' O ' ' N ' ' B' ' 356' ' ' GLY . 64.2 t0 -111.94 81.44 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' B' ' 352' ' ' ASP . 64.1 mttp -37.25 -62.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 93.7 t -39.51 -52.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.547 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 5.9 t -93.0 -25.49 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.565 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.963 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.22 24.65 70.63 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 30.7 mmtp -115.06 154.92 27.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 110.591 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' ASP . . . . . 0.725 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.9 m-20 -94.76 143.05 26.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.593 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.681 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.0 p90 -139.7 135.73 33.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.564 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.19 156.68 38.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.542 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.423 HD22 ' CG ' ' B' ' 371' ' ' TYR . 66.1 mt -108.57 158.53 17.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 362' ' ' CYS . . . . . 0.455 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 21.5 p -168.2 168.66 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.556 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 363' ' ' ASP . . . . . 0.639 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 5.2 p-10 -75.54 -10.28 59.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.586 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 364' ' ' TYR . . . . . 0.504 ' O ' ' CE2' ' B' ' 420' ' ' TYR . 87.5 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.428 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 365' ' ' ASN . . . . . 0.455 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 51.2 p30 -123.25 24.76 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 366' ' ' ARG . . . . . 0.515 ' NH1' ' OH ' ' B' ' 371' ' ' TYR . 56.4 ttt180 -119.98 129.87 54.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.537 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -122.18 99.5 6.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.548 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.03 -98.7 1.74 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -126.32 8.77 7.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.577 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 370' ' ' SER . . . . . 1.019 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 78.3 p -122.4 161.32 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 371' ' ' TYR . . . . . 1.1 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 67.8 m-85 -118.26 150.78 38.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.523 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . 0.534 ' NH2' ' OH ' ' B' ' 420' ' ' TYR . 4.9 mtp180 -98.76 124.71 43.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.634 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 373' ' ' SER . . . . . 0.588 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 87.4 p -79.62 133.77 58.75 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.789 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 374' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.6 Cg_exo -75.81 -14.82 19.3 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.857 2.371 . . . . 0.0 112.227 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -85.86 -66.28 0.92 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . 0.493 ' HG ' ' HG ' ' B' ' 373' ' ' SER . 68.0 p -83.14 -18.6 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.628 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 377' ' ' ASN . . . . . 0.588 ' HA ' ' O ' ' B' ' 373' ' ' SER . 49.6 t30 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.577 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -141.56 137.91 32.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.628 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 379' ' ' TYR . . . . . 1.1 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.8 140.45 58.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.614 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . 0.876 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.97 -60.41 6.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.369 179.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 1.019 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 32.1 Cg_exo -65.43 120.04 7.17 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.957 2.438 . . . . 0.0 112.327 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -41.61 79.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.984 2.456 . . . . 0.0 112.246 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.611 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.2 tp -84.51 177.54 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.533 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -111.64 -72.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -117.02 66.02 0.72 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.519 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 386' ' ' GLY . . . . . 0.85 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.23 151.74 47.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 387' ' ' ALA . . . . . . . . . . . . . . . -63.98 127.29 30.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.606 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . 0.474 ' O ' ' SD ' ' B' ' 388' ' ' MET . 0.0 OUTLIER -132.31 148.6 70.36 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.98 150.76 49.32 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.758 2.305 . . . . 0.0 112.119 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.7 142.92 17.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.626 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.63 -43.73 5.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -67.95 -37.78 82.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.493 ' N ' ' CD2' ' B' ' 393' ' ' LEU . 4.0 mm? -70.89 -42.42 70.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.399 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -55.32 -36.8 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.54 -46.56 85.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.351 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.44 -31.94 73.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.262 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -67.85 -38.05 82.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.06 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.436 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -68.74 -36.96 79.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.355 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.91 94.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.373 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 401' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' B' ' 405' ' ' ASP . 57.0 t-20 -63.91 -39.08 93.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.361 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -72.12 -40.41 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.375 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . 0.864 ' HB1' HD11 ' A' ' 274' ' ' ILE . . . -63.65 -47.96 79.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.394 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -69.31 -29.29 67.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.434 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' B' ' 401' ' ' ASN . 54.1 m-20 -54.57 -38.83 67.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.461 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -77.18 -32.78 56.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -69.79 -18.64 63.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 408' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 4.3 ttm180 -83.84 -35.46 24.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 409' ' ' ASP . . . . . 0.518 ' OD2' ' NZ ' ' C' ' 604' ' ' LYS . 17.0 t0 -85.2 -9.0 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.533 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 410' ' ' LEU . . . . . 0.678 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 43.5 mt -95.8 -17.89 20.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 411' ' ' TYR . . . . . 0.999 ' CZ ' ' O ' ' A' ' 260' ' ' ARG . 1.7 t80 -118.89 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.592 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 77.1 m-85 -100.58 -25.98 13.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.552 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 413' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 63.53 24.34 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.582 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.77 -154.49 25.46 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.38 -163.46 52.94 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 16.3 t -128.7 153.71 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.331 . . . . 0.0 110.447 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 47.4 t -143.57 148.52 36.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.708 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 26.4 t -148.21 143.99 27.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 97.2 t -132.9 130.21 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.788 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.534 ' OH ' ' NH2' ' B' ' 372' ' ' ARG . 77.5 t80 -128.5 132.43 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.367 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -119.66 158.4 26.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.686 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 422' ' ' TRP . . . . . 0.918 ' CE2' ' HB3' ' B' ' 429' ' ' ALA . 2.0 p-90 -154.5 110.51 3.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.531 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -43.01 159.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.614 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 424' ' ' LEU . . . . . 0.763 HD21 ' CZ3' ' B' ' 422' ' ' TRP . 55.1 mt -127.86 -147.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.579 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' B' ' 424' ' ' LEU . 52.6 t0 -87.34 -49.87 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.541 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -129.8 30.73 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.516 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.7 -135.64 2.55 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -170.71 154.13 4.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 0.0 110.533 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . 0.918 ' HB3' ' CE2' ' B' ' 422' ' ' TRP . . . -124.04 172.79 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.68 35.02 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 431' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 2.5 p -130.03 126.33 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.56 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 432' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 113.72 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' B' ' 450' ' ' SER . 30.8 mt -102.88 143.14 32.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.582 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 434' ' ' ILE . . . . . 0.492 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.6 mt -148.71 119.92 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -122.56 127.53 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 436' ' ' LYS . . . . . 0.557 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.4 tptm -137.19 119.63 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.91 138.15 40.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.587 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.07 179.47 45.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -50.73 128.11 19.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.67 9.75 76.05 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 91.5 p -110.34 -4.25 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.63 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -89.22 153.91 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.55 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 443' ' ' LYS . . . . . 0.545 ' NZ ' ' CD2' ' C' ' 677' ' ' TYR . 6.1 pttm -56.94 -43.77 81.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 444' ' ' ILE . . . . . 0.425 ' H ' ' HG3' ' B' ' 443' ' ' LYS . 60.1 mt -95.16 135.98 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.689 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -105.75 154.73 20.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.356 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.77 152.4 24.51 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 8.1 t -149.44 130.65 14.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.293 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 448' ' ' TRP . . . . . 0.728 ' CZ2' ' CZ ' ' A' ' 259' ' ' ARG . 6.7 t-105 -114.81 116.22 28.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.817 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 449' ' ' ASP . . . . . 0.51 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.0 m-20 -109.43 127.18 54.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.288 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 450' ' ' SER . . . . . 0.559 ' HG ' ' HE1' ' B' ' 448' ' ' TRP . 1.3 m -115.92 122.78 46.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 88.9 mt -127.91 100.73 6.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.243 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 452' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 3.3 m170 -108.66 132.41 53.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.813 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 453' ' ' VAL . . . . . 0.709 ' O ' HG22 ' B' ' 470' ' ' THR . 0.1 OUTLIER -128.74 95.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.217 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 8.1 p -96.69 153.62 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -131.84 102.22 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.318 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 456' ' ' VAL . . . . . 0.408 HG22 ' CE2' ' B' ' 467' ' ' TYR . 99.5 t -79.1 139.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -123.51 68.34 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 458' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 77.9 mt-10 -40.22 146.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.652 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 459' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' B' ' 464' ' ' THR . 28.7 tptp -109.37 141.97 40.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.93 -54.15 16.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.655 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.4 p -126.75 146.57 50.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.533 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 462' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.76 48.2 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 59.17 -0.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.685 0.278 . . . . 0.0 110.559 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.508 ' H ' ' C ' ' B' ' 462' ' ' GLY . 9.6 t -82.25 123.65 29.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 465' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.76 151.9 32.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.729 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -92.98 126.53 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.381 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 467' ' ' TYR . . . . . 0.408 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.3 m-85 -103.15 139.44 38.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -135.81 86.18 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.167 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 157.55 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 470' ' ' THR . . . . . 0.76 ' O ' HG23 ' B' ' 470' ' ' THR . 15.1 t -157.85 62.82 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.077 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 11.9 p -64.65 174.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.137 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 472' ' ' THR . . . . . 0.731 HG23 HG22 ' B' ' 494' ' ' THR . 6.2 m -168.77 87.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.113 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 473' ' ' VAL . . . . . 0.472 HG11 ' CH2' ' B' ' 448' ' ' TRP . 98.5 t -69.72 143.85 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 -179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 474' ' ' MET . . . . . 0.51 ' HB3' ' HB2' ' B' ' 449' ' ' ASP . 0.6 OUTLIER -124.82 96.05 4.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.099 179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 475' ' ' LEU . . . . . 0.713 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.8 OUTLIER -86.67 131.15 34.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 476' ' ' TRP . . . . . 0.713 ' N ' HD23 ' B' ' 475' ' ' LEU . 1.6 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.272 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 33.7 mt -137.36 124.71 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.954 0.406 . . . . 0.0 110.774 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 478' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' B' ' 479' ' ' THR . 41.4 tt0 -138.2 158.12 44.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.446 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 479' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 478' ' ' GLN . 1.8 t -163.46 127.52 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.613 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 480' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 13.3 m120 -108.23 73.81 0.9 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.491 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 481' ' ' LYS . . . . . 0.875 ' O ' ' N ' ' B' ' 485' ' ' GLY . 3.4 ttmp? -107.66 146.68 31.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 60.9 p -57.31 -45.98 83.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.568 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.6 -25.26 68.67 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . 0.447 ' O ' ' C ' ' B' ' 485' ' ' GLY . 51.8 p -125.92 14.85 7.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.895 0.379 . . . . 0.0 110.611 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 485' ' ' GLY . . . . . 0.875 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.61 -96.45 0.01 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 486' ' ' THR . . . . . 0.504 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 15.1 p -126.0 113.91 17.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 110.551 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 487' ' ' MET . . . . . 0.678 ' SD ' HG12 ' A' ' 243' ' ' ILE . 2.5 ttm -125.07 118.04 25.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 488' ' ' ASN . . . . . 0.569 HD22 ' C ' ' B' ' 487' ' ' MET . 4.0 m120 -119.0 123.97 45.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 489' ' ' LEU . . . . . 0.439 ' HB2' HD13 ' A' ' 206' ' ' LEU . 13.4 tp -131.65 76.69 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.621 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.79 21.79 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 491' ' ' GLY . . . . . 0.628 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.82 -142.65 11.08 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 492' ' ' SER . . . . . 0.628 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 74.3 p 163.2 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 493' ' ' LEU . . . . . 0.526 HD22 ' C ' ' B' ' 492' ' ' SER . 4.3 mm? -110.55 149.5 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.618 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 494' ' ' THR . . . . . 0.731 HG22 HG23 ' B' ' 472' ' ' THR . 2.5 p -127.18 142.86 51.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.478 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 495' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.3 mmt180 -149.95 128.7 12.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.659 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -92.83 160.59 14.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.522 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.6 tpp -160.04 130.44 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.662 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 498' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' B' ' 498' ' ' GLU . 1.8 pm0 -133.5 141.57 47.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.551 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -172.2 145.77 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 44.0 p-10 -91.21 125.2 35.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.517 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -120.75 160.17 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.618 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 72.4 p -94.24 131.85 39.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.1 t -98.61 122.41 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 18.6 p -143.02 -177.23 5.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.9 -35.84 77.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.3 p -83.66 -19.85 34.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 27.6 t -135.5 73.45 62.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 508' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.0 Cg_exo -72.5 -172.58 0.95 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.799 2.333 . . . . 0.0 112.145 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -58.82 -62.69 1.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 510' ' ' ILE . . . . . 0.608 HD12 ' H ' ' B' ' 510' ' ' ILE . 3.7 mp -42.7 -49.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.621 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 511' ' ' ALA . . . . . 0.465 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -54.92 -49.32 71.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.593 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -62.97 -48.14 80.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.598 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.08 -33.61 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.58 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 514' ' ' GLY . . . . . 0.518 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.72 -46.63 73.78 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -57.35 -44.31 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.668 0.27 . . . . 0.0 110.745 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.19 -52.52 62.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.5 -47.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.611 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.93 -51.71 68.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.746 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 519' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.9 t0 -63.52 -37.54 87.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.34 -49.44 71.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 521' ' ' GLU . . . . . 0.576 ' CG ' HH22 ' A' ' 259' ' ' ARG . 37.3 mt-10 -62.54 -45.33 93.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.71 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 522' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 56.3 t-20 -56.93 -41.41 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -70.62 -38.5 73.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 524' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' B' ' 524' ' ' ILE . 26.7 mm -74.36 -24.41 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 525' ' ' ARG . . . . . 0.666 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.62 66.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.675 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 526' ' ' SER . . . . . 0.528 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 28.2 t -85.04 -38.71 18.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.71 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.1 m -66.08 -35.75 81.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 65.7 mt -65.0 -42.37 94.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -68.51 -31.29 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . 0.97 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.6 mt-10 -74.37 -54.43 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.646 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.37 -61.57 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.516 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 532' ' ' TYR . . . . . 0.677 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 17.2 m-85 -50.26 -86.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.578 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 533' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.0 OUTLIER -77.74 40.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.532 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . 0.97 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.05 -87.15 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 29.0 mmtp -56.96 -68.61 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.716 0.293 . . . . 0.0 110.549 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.626 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.5 p -34.81 -57.96 0.52 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.604 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -50.39 -53.22 30.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.616 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -53.29 -44.89 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.548 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 539' ' ' ILE . . . . . 0.469 HG21 HG13 ' A' ' 196' ' ' VAL . 91.3 mt -61.78 -36.03 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.589 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 78.8 t -65.46 -41.94 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.656 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -69.82 -17.13 63.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.526 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.35 48.0 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.458 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.1 mt -68.12 -51.42 46.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.441 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 544' ' ' ARG . . . . . 0.765 ' HG2' ' O ' ' A' ' 135' ' ' HIS . 2.1 tmt_? -141.81 170.12 16.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.661 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 545' ' ' SER . . . . . 0.642 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.7 t -142.18 137.87 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 546' ' ' ILE . . . . . 0.544 HG23 ' N ' ' B' ' 547' ' ' ASP . 21.1 tt -69.05 -43.56 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.516 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 547' ' ' ASP . . . . . 0.544 ' N ' HG23 ' B' ' 546' ' ' ILE . 64.8 t0 -82.91 138.56 33.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.623 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 548' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.43 122.06 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 551' ' ' ASP . 73.7 mt -79.5 112.7 30.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.554 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 550' ' ' PRO . . . . . 0.571 ' O ' ' O ' ' B' ' 551' ' ' ASP . 74.3 Cg_exo -46.49 80.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.926 2.418 . . . . 0.0 112.085 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.571 ' O ' ' O ' ' B' ' 550' ' ' PRO . 54.6 p-10 -25.37 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.592 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 552' ' ' ASN . . . . . 0.548 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 43.6 p-10 -129.85 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -85.25 -24.81 27.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.67 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' B' ' 558' ' ' LEU . 87.5 tttt -52.59 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.632 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 555' ' ' TYR . . . . . 0.548 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.4 m-85 -45.25 -56.66 4.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.643 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -57.6 -46.9 83.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.732 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.83 -29.69 70.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.9 tp -77.76 -30.3 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.697 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -73.62 -36.36 65.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.682 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . 0.492 HH11 ' HG2' ' B' ' 560' ' ' ARG . 50.8 ttt-85 -58.2 -40.52 81.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.804 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 561' ' ' GLU . . . . . 0.947 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.0 mm-40 -67.84 -61.75 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.743 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 82.5 mt -49.11 -40.65 33.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.683 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 563' ' ' SER . . . . . 0.797 ' O ' ' N ' ' B' ' 565' ' ' VAL . 62.9 m -61.19 -76.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.694 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.671 ' NE2' HE22 ' B' ' 568' ' ' GLN . 54.2 tt0 -36.72 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.696 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.947 HG23 ' O ' ' B' ' 561' ' ' GLU . 64.4 t -72.14 -42.63 67.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.623 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.625 ' N ' HD22 ' B' ' 566' ' ' LEU . 4.0 mm? -81.53 -35.55 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.569 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.5 p -70.25 -19.67 63.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.554 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 568' ' ' GLN . . . . . 0.671 HE22 ' NE2' ' B' ' 564' ' ' GLN . 79.9 mt-30 -117.47 6.62 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.715 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.746 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 22.1 ttm180 -160.99 -141.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.498 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.834 ' O ' HG22 ' B' ' 571' ' ' ILE . 39.1 tt0 139.78 128.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.686 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 571' ' ' ILE . . . . . 0.834 HG22 ' O ' ' B' ' 570' ' ' GLN . 13.9 tt . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.516 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 601' ' ' MET . . . . . . . . . . . . . 66.6 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.5 m 62.18 5.94 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.517 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -49.79 -37.81 31.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 604' ' ' LYS . . . . . 0.518 ' NZ ' ' OD2' ' B' ' 409' ' ' ASP . 90.1 mttt -69.76 -52.18 27.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -55.05 -28.98 56.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -75.65 -53.62 8.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.568 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 607' ' ' MET . . . . . 0.483 ' CE ' ' OE2' ' C' ' 633' ' ' GLU . 46.9 ttp -72.81 -36.83 67.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.54 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -56.72 -16.01 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 609' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.69 13.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 610' ' ' LEU . . . . . 0.576 HD21 HG21 ' C' ' 618' ' ' VAL . 13.9 mt -66.22 1.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.574 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 611' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' C' ' 609' ' ' ALA . 62.8 tttp -102.04 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -70.39 -4.24 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 613' ' ' GLY . . . . . 0.597 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.01 21.88 58.45 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 614' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' C' ' 616' ' ' ASP . 6.5 m-20 -63.89 49.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.767 0.318 . . . . 0.0 110.563 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 615' ' ' LEU . . . . . 0.955 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.8 tm? -45.05 -17.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 616' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' C' ' 614' ' ' ASP . 95.9 m-20 -77.69 -27.59 50.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 617' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' C' ' 614' ' ' ASP . 76.7 mm-40 -81.47 -49.86 10.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 618' ' ' VAL . . . . . 0.576 HG21 HD21 ' C' ' 610' ' ' LEU . 9.9 p -62.85 -28.39 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 619' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 33.4 ttmt -66.21 -21.88 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.498 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 620' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 63.0 t0 -75.32 -45.49 39.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -60.92 -59.19 5.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.533 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.71 -27.88 31.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 623' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.73 -16.76 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.79 -76.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.593 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 625' ' ' GLY . . . . . 0.502 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.8 82.32 0.1 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 626' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.7 pt-20 34.26 95.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.84 0.353 . . . . 0.0 110.598 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 627' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 54.6 p30 -140.97 62.68 1.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.586 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 628' ' ' VAL . . . . . 0.662 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.5 t -121.97 76.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -172.99 5.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 630' ' ' ARG . . . . . 0.414 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.6 mtt-85 -79.0 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.529 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 631' ' ' THR . . . . . 0.5 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.0 OUTLIER -82.09 87.67 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.595 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 632' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' C' ' 631' ' ' THR . 40.7 tp -31.38 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.483 ' OE2' ' CE ' ' C' ' 607' ' ' MET . 68.2 mm-40 -71.73 -76.82 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.503 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.69 -11.35 0.07 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 635' ' ' GLY . . . . . . . . . . . . . . . -163.45 22.72 0.18 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -127.91 164.9 21.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 110.574 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 637' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' C' ' 639' ' ' LEU . 12.7 mptt -108.42 157.0 37.63 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.589 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 638' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.67 25.02 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.855 2.37 . . . . 0.0 112.135 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 639' ' ' LEU . . . . . 0.479 ' O ' HD23 ' C' ' 639' ' ' LEU . 0.6 OUTLIER -117.76 -16.27 10.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.544 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -75.28 -43.83 49.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -71.68 -36.03 70.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.486 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 642' ' ' ALA . . . . . 0.685 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.88 -44.93 75.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.645 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.49 62.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 644' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.65 -35.63 76.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 5.3 p -160.91 65.33 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.601 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 646' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.03 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 647' ' ' GLN . . . . . 0.57 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 15.1 mm100 51.62 4.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.784 0.325 . . . . 0.0 110.577 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 648' ' ' LEU . . . . . 0.949 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.59 7.03 5.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 649' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' C' ' 647' ' ' GLN . 2.9 mp0 -115.79 -12.62 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.636 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.47 -36.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.593 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 1.106 HD13 ' H ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.31 -52.94 61.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.543 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 652' ' ' GLU . . . . . 0.77 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 91.0 mt-10 -56.18 -22.62 30.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.505 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 0.6 OUTLIER -75.83 -97.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.579 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 654' ' ' LEU . . . . . 1.018 ' H ' HD22 ' C' ' 654' ' ' LEU . 0.9 OUTLIER -41.45 6.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.567 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 10.6 tp -102.97 -47.87 4.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 55.2 tp -59.27 -25.33 63.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 657' ' ' LYS . . . . . 0.436 ' HB3' ' H ' ' C' ' 658' ' ' GLY . 16.4 tptp -72.84 -90.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.508 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 658' ' ' GLY . . . . . 0.595 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.31 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 659' ' ' ALA . . . . . 0.709 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.07 33.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.599 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 660' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' C' ' 662' ' ' ASN . 90.1 m-20 -57.37 10.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.517 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 661' ' ' ILE . . . . . 0.709 ' H ' ' C ' ' C' ' 659' ' ' ALA . 0.0 OUTLIER -66.05 1.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.528 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 662' ' ' ASN . . . . . 1.102 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 55.5 p30 -163.62 -18.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.563 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 663' ' ' ALA . . . . . 0.752 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.15 -33.62 0.28 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.61 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 664' ' ' PRO . . . . . 1.102 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 86.6 Cg_exo -46.98 120.83 4.48 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.928 2.419 . . . . 0.0 112.094 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -125.91 -50.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.516 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -78.79 -16.14 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.588 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 667' ' ' HIS . . . . . 0.555 ' N ' ' ND1' ' C' ' 667' ' ' HIS . 0.6 OUTLIER -80.48 -6.29 57.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.557 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 40.61 37.27 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 669' ' ' ILE . . . . . 0.522 HG22 ' O ' ' C' ' 667' ' ' HIS . 18.1 tt -176.89 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.57 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 670' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' C' ' 671' ' ' PRO . 0.1 OUTLIER -96.19 168.7 10.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 671' ' ' PRO . . . . . 0.472 ' O ' ' OG ' ' C' ' 674' ' ' SER . 49.9 Cg_endo -72.51 -30.49 12.21 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.789 2.326 . . . . 0.0 112.109 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 23.7 tp -45.33 -49.11 13.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.532 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 673' ' ' LEU . . . . . 0.633 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.85 -27.79 66.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.552 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 674' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 19.5 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 675' ' ' ALA . . . . . 0.418 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.56 -30.04 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.571 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 676' ' ' VAL . . . . . 0.633 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 13.2 t -47.16 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.521 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 677' ' ' TYR . . . . . 0.545 ' CD2' ' NZ ' ' B' ' 443' ' ' LYS . 1.2 m-85 -77.82 39.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 678' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -124.54 -28.68 3.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.505 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.27 -11.31 72.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 680' ' ' HIS . . . . . 0.901 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.0 m-70 -71.94 -53.58 12.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 0.0 110.55 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 681' ' ' VAL . . . . . 0.776 ' O ' HG22 ' C' ' 684' ' ' VAL . 10.7 m 43.28 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.585 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 682' ' ' SER . . . . . 0.901 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.1 m -67.45 -24.28 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 683' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 0.9 OUTLIER -91.0 -48.61 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 684' ' ' VAL . . . . . 0.776 HG22 ' O ' ' C' ' 681' ' ' VAL . 3.8 m -41.9 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 685' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' C' ' 687' ' ' LEU . 25.6 mtpp -62.55 -73.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.58 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.91 1.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 687' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.1 tp -81.85 -70.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 688' ' ' LEU . . . . . 0.692 HD12 ' O ' ' C' ' 691' ' ' GLY . 16.8 tp -45.64 -21.15 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.491 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 689' ' ' SER . . . . . 0.419 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.3 m -55.7 -21.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -99.58 -6.32 27.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 691' ' ' GLY . . . . . 1.081 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.73 -74.91 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.18 18.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.58 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 693' ' ' ASP . . . . . 1.081 ' N ' ' O ' ' C' ' 691' ' ' GLY . 17.4 t0 33.19 -128.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -152.5 -23.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 5.4 m -156.53 73.52 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.5 t -93.51 -29.61 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.641 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -140.16 23.59 2.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.628 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.69 142.78 20.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 699' ' ' PRO . . . . . 0.66 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 84.6 Cg_exo -44.83 -27.74 2.6 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.845 2.363 . . . . 0.0 112.124 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 700' ' ' ASP . . . . . 0.66 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.8 t70 157.73 -112.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.616 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 701' ' ' GLY . . . . . 0.557 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 702' ' ' LEU . . . . . 0.648 ' O ' ' C ' ' C' ' 703' ' ' THR . 5.3 tp -53.83 -66.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.569 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 81.9 p 16.2 -95.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 704' ' ' ALA . . . . . 0.601 ' HB3' HD12 ' C' ' 717' ' ' LEU . . . -106.63 -18.59 13.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.582 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 705' ' ' LEU . . . . . 0.557 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.6 tp -62.89 -75.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.547 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 706' ' ' GLU . . . . . 0.401 ' HB3' HD13 ' C' ' 702' ' ' LEU . 15.4 tp10 -80.67 15.11 1.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.498 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.39 -70.69 0.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 708' ' ' THR . . . . . 0.437 ' O ' ' OD1' ' C' ' 709' ' ' ASP . 56.9 p -139.77 -142.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.591 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 709' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' C' ' 708' ' ' THR . 77.9 m-20 -148.87 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -72.57 151.84 42.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.538 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -71.54 -20.5 62.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.21 -60.36 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.667 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 12.2 mt -70.02 -37.68 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -51.99 -29.95 22.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 716' ' ' LEU . . . . . 0.826 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 1.1 tt -161.06 98.36 1.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.535 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 717' ' ' LEU . . . . . 0.826 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 11.9 mt 124.12 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.575 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 718' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 41.5 tp60 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.616 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.463 HH11 ' HG2' ' A' ' 7' ' ' ARG . 57.2 ttt-85 . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.17 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.0 p -45.88 162.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.638 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' O ' HG23 ' A' ' 14' ' ' VAL . 99.3 m-20 -64.93 -33.59 76.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.52 -39.31 87.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG2' HH21 ' A' ' 15' ' ' ARG . 93.8 mt-10 -67.61 -40.89 84.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.625 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -63.7 -35.91 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.566 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 10' ' ' ASP . 66.0 t -65.24 -43.77 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.53 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.412 HH21 ' HG2' ' A' ' 12' ' ' GLU . 73.3 mtm180 -61.62 -39.73 92.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.713 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.34 -47.39 87.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.546 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.9 75.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.67 75.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.7 tttt -65.9 -41.37 91.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.504 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -65.14 -44.84 87.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.661 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.66 -46.52 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.57 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.6 p -75.97 8.47 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.622 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.72 15.36 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.49 146.92 81.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.6 Cg_endo -68.2 167.56 21.67 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.751 2.301 . . . . 0.0 112.062 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -70.97 116.22 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.747 2.298 . . . . 0.0 112.095 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.16 21.44 35.49 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 42.8 mt-10 -149.28 37.07 0.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.781 0.324 . . . . 0.0 110.547 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.91 -48.79 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -57.12 -57.35 12.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.56 ' CD ' ' H ' ' A' ' 31' ' ' GLU . 42.0 mp0 -44.49 -54.43 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.78 -42.51 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.647 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 39.0 t80 -59.18 -50.88 72.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.03 -37.96 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.05 -42.12 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.593 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.8 t -67.04 -41.86 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.605 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -56.36 -54.82 41.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.545 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.36 -34.72 72.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.19 -49.81 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.641 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.69 -32.64 72.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.444 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 67.1 t30 46.66 49.66 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.509 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 46.5 m-20 -168.64 79.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.649 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -51.85 -37.91 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -54.18 -44.17 71.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -77.35 -30.82 54.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 37.6 tp -62.73 -38.75 91.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.554 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.13 -35.59 80.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.627 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -40.97 -59.77 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.88 48.73 0.91 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.2 -56.82 3.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.82 0.343 . . . . 0.0 110.543 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.5 87.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -54.34 -37.01 64.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.552 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.48 -54.38 12.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.516 ' CG ' ' HB2' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -46.56 -56.57 5.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.574 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.63 -72.71 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.564 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' ALA . 68.3 tp60 -33.61 -45.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.578 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -60.04 -72.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.587 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -46.95 -30.99 2.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.503 ' C ' ' H ' ' A' ' 61' ' ' GLN . 26.7 ttp -68.8 -66.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.576 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 56' ' ' GLN . 1.5 p30 -67.87 10.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.6 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.619 ' NE2' ' NH2' ' A' ' 172' ' ' ARG . 15.5 mm100 -124.54 24.73 7.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.593 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.3 m-30 23.9 44.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.517 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 61' ' ' GLN . 25.4 m -58.84 111.35 3.55 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.601 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.67 115.18 4.13 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.949 2.433 . . . . 0.0 112.199 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.631 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.3 p -109.42 165.93 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.631 ' N ' HG22 ' A' ' 65' ' ' VAL . 87.1 tttt -125.11 103.91 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.64 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.872 HD12 ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -51.52 148.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.627 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.872 ' H ' HD12 ' A' ' 67' ' ' ILE . 11.2 tm-20 -13.27 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.582 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.537 ' N ' ' OE1' ' A' ' 68' ' ' GLU . . . -142.43 75.14 0.32 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.795 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -137.45 14.79 2.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 110.621 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.603 ' C ' ' O ' ' A' ' 70' ' ' TYR . 66.2 t0 20.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.516 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 1.055 ' O ' ' N ' ' A' ' 74' ' ' VAL . 9.5 t70 -98.74 19.43 14.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.567 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.712 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.4 mm100 -0.3 50.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.055 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.5 p -63.96 173.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.719 ' N ' HG22 ' A' ' 74' ' ' VAL . 57.6 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.526 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.5 mt -104.07 105.48 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.0 p -130.1 -176.92 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.605 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -78.79 -31.27 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.589 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.413 ' CE1' HD13 ' A' ' 155' ' ' ILE . 95.4 m-70 -64.03 -23.58 67.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.511 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.19 15.65 50.61 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -85.53 100.01 11.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 0.0 110.597 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 86' ' ' ARG . 56.0 tp -49.65 -51.5 37.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.65 25.35 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.734 0.302 . . . . 0.0 110.582 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.18 -15.72 9.35 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.543 ' HG2' HH11 ' A' ' 86' ' ' ARG . 0.3 OUTLIER -108.38 168.75 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 110.586 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 53.6 m-85 -114.55 -170.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.58 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 80' ' ' GLY . 63.9 mt -118.3 157.4 27.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.699 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 6.5 t0 -139.38 88.99 12.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.434 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.504 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.3 Cg_endo -60.95 -36.68 81.87 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.827 2.351 . . . . 0.0 112.033 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -59.45 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.437 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.674 ' OD1' ' CZ ' ' A' ' 70' ' ' TYR . 2.4 t-20 -76.46 -20.4 57.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.567 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.699 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 52.9 mtmt 62.81 62.01 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.502 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.658 HD13 ' OD1' ' A' ' 92' ' ' ASN . 24.1 pt -146.44 154.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.618 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.828 ' O ' ' N ' ' A' ' 109' ' ' GLN . 3.8 t -92.71 133.05 36.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.707 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 35.0 p90 -140.15 136.65 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.694 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 17.7 ttmm -88.71 113.38 24.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.556 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.883 ' HA ' ' HB1' ' A' ' 105' ' ' ALA . 48.9 t80 -82.63 133.08 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.605 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 102' ' ' ARG . 9.0 t70 -104.59 90.17 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.516 ' HB2' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.43 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -47.43 -81.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 99' ' ' ASP . 87.2 mtm180 -52.86 156.34 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.548 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -88.88 2.27 54.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.538 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.493 ' OE1' ' N ' ' A' ' 104' ' ' GLU . 48.9 mp0 -117.24 150.2 39.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 98' ' ' PHE . . . -147.19 79.7 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.3 m -95.56 -164.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.544 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.444 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.79 54.49 0.28 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.539 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.825 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.1 Cg_endo -73.55 -177.74 3.26 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.791 2.328 . . . . 0.0 112.123 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.828 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.7 mt-30 -160.15 124.51 2.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.561 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -47.09 131.0 17.09 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.818 2.346 . . . . 0.0 112.045 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -122.89 102.44 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.545 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.45 88.45 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.639 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 82.1 p -46.91 164.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.07 -30.05 58.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.623 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.93 35.66 1.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.78 -59.96 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.502 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.653 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 27.0 tp -104.11 3.38 33.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.552 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 119' ' ' GLN . 10.6 mmtp -54.03 -41.9 68.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.477 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 118' ' ' LYS . 84.2 mt-30 -39.17 -55.98 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.556 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 9.9 m-90 -62.55 -47.56 83.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.567 ' O ' ' C ' ' A' ' 122' ' ' ASP . 5.1 tmm_? -53.94 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.546 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.567 ' C ' ' O ' ' A' ' 121' ' ' ARG . 98.9 m-20 -25.46 -45.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.525 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -65.01 -67.18 0.46 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.545 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.1 m -51.14 -48.49 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.446 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 39.1 t70 -40.48 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.517 ' O ' ' CG ' ' A' ' 129' ' ' ARG . 32.0 m -47.97 -46.24 32.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.44 33.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.85 -12.21 60.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.471 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.641 ' CG ' HH11 ' A' ' 129' ' ' ARG . 0.0 OUTLIER -66.42 -32.77 74.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.596 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.609 ' N ' ' HG3' ' A' ' 129' ' ' ARG . . . -81.57 -39.3 24.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.547 ' OH ' ' NH2' ' B' ' 544' ' ' ARG . 22.0 t80 -54.74 -38.79 67.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.576 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 134' ' ' ASP . 88.3 t -74.75 -40.54 47.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.49 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.3 mttt -76.14 25.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.9 m-20 -147.58 7.64 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.582 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.702 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.7 m80 -151.07 -21.55 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.597 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' B' ' 544' ' ' ARG . 43.8 m-85 -114.74 106.44 52.02 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.616 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.463 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.57 -57.15 2.36 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.75 2.3 . . . . 0.0 112.081 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -127.55 50.1 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.86 163.6 12.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.562 ' HB2' HD21 ' A' ' 75' ' ' LEU . 50.2 m-85 -135.06 158.14 45.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.792 0.33 . . . . 0.0 110.582 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.51 162.27 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 88.6 m -161.35 97.36 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.504 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 42.3 t -75.74 143.41 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.579 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 97.6 m-85 -120.22 124.3 45.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.553 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.76 84.5 0.37 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -123.76 167.43 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.834 0.349 . . . . 0.0 110.531 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.2 t -107.63 115.43 30.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.508 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.609 HG22 ' OD2' ' A' ' 149' ' ' ASP . 14.0 mt -91.24 104.12 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.609 ' OD2' HG22 ' A' ' 148' ' ' ILE . 3.0 p30 46.63 54.19 9.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.562 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.89 -62.78 4.17 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -53.79 129.85 34.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 0.0 110.644 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.631 ' HB3' HD22 ' A' ' 117' ' ' LEU . 35.0 mt-30 -85.82 150.49 24.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.719 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 3.1 t -155.27 146.11 22.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.719 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 179' ' ' PHE . 4.8 mp -108.46 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.395 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 144' ' ' TYR . 2.4 mt -98.13 117.1 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.89 115.99 27.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.295 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 85.7 m -106.1 135.41 47.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . 0.41 HD13 HG21 ' A' ' 158' ' ' ILE . 13.8 mt -122.76 137.73 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.192 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.519 ' O ' ' CA ' ' A' ' 139' ' ' GLY . 15.4 tm-20 -131.37 151.88 51.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.959 0.409 . . . . 0.0 111.051 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.733 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.88 121.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.212 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 163' ' ' PHE . 3.8 p-80 -140.62 170.62 15.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.964 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.0 mm-40 -148.66 77.86 1.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.219 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 161' ' ' HIS . 5.0 m-85 -65.43 147.48 53.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.983 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.465 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 1.1 tm0? -167.96 66.08 0.73 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.673 ' O ' ' N ' ' A' ' 167' ' ' ASN . 19.2 Cg_endo -60.72 -52.03 4.23 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.733 2.289 . . . . 0.0 112.144 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -43.91 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . 0.673 ' N ' ' O ' ' A' ' 165' ' ' PRO . 11.9 m120 -121.94 -10.45 8.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.834 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 57.3 m-85 70.02 80.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.834 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 19.4 p-90 158.76 127.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.738 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -135.95 162.3 33.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.38 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.82 163.15 29.04 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.619 ' NH2' ' NE2' ' A' ' 61' ' ' GLN . 26.9 ttp180 -165.73 136.61 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' TRP . . . . . 0.733 ' N ' ' O ' ' A' ' 160' ' ' SER . 6.5 t-105 -107.53 138.91 42.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.503 ' N ' ' CD1' ' A' ' 173' ' ' TRP . 56.0 mtm180 -125.37 152.27 45.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.199 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.32 111.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 111.066 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.635 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.7 tt0 -116.42 124.7 50.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.114 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.706 ' HB3' ' CZ ' ' A' ' 179' ' ' PHE . 67.9 m95 -120.61 116.93 26.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.944 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -98.57 119.85 37.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.379 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.719 ' O ' ' HA ' ' A' ' 153' ' ' THR . 33.5 m-85 -117.53 88.62 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.936 0.398 . . . . 0.0 110.755 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.679 ' O ' ' O ' ' A' ' 179' ' ' PHE . 17.6 p -50.11 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.558 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 182' ' ' THR . 0.1 OUTLIER -164.33 151.29 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.661 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.922 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.4 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.47 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 1.062 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 89.0 Cg_exo -34.26 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.415 2.743 . . . . 0.0 112.738 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . 0.922 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 67.1 Cg_endo -79.8 -4.35 13.36 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 0.0 112.14 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . 1.06 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.256 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.151 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.83 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.931 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 1.032 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 24.8 mp0 -106.72 -115.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.271 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.998 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.7 t 145.65 173.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.725 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.766 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.81 111.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.407 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.46 -167.63 2.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.5 p -165.75 115.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.533 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 192' ' ' LEU . 7.2 mp -85.49 157.83 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -150.39 147.82 28.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.747 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . 0.555 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 68.1 mt -149.49 134.08 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.221 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -142.31 130.26 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.949 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.4 t -132.69 136.61 55.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.158 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . 0.777 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 20.3 t-160 -126.5 141.63 51.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.955 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 45.7 t80 -145.6 87.11 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.307 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.769 ' O ' ' HB3' ' A' ' 168' ' ' PHE . 3.5 p90 -100.04 87.74 3.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.815 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' GLU . . . . . 0.802 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 23.9 tt0 -129.45 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.3 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . 0.802 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 88.2 m-20 114.86 2.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.399 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.69 -129.11 1.08 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' B' ' 314' ' ' ARG . 66.5 t30 -172.85 99.7 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 110.583 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.05 129.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.518 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' GLN . . . . . 0.705 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 74.6 mt-30 -136.78 154.08 50.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.467 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.479 HD22 ' OH ' ' A' ' 247' ' ' TYR . 13.0 tp -122.25 87.19 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.696 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . 0.534 HG21 HE21 ' B' ' 319' ' ' GLN . 86.5 t -90.06 122.29 41.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.367 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 47.4 t -149.61 147.21 27.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . 0.424 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 34.6 p80 -157.87 145.09 18.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.212 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -135.45 129.07 32.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.903 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . 0.468 ' OD1' HG23 ' A' ' 191' ' ' VAL . 66.0 m-20 -103.55 129.82 50.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.259 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 213' ' ' GLN . 96.4 mt -127.16 154.85 37.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.916 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . 0.441 ' N ' HG22 ' A' ' 212' ' ' ILE . 58.3 tt0 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.339 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 33.9 t70 -118.84 166.09 13.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.705 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 1.032 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 19.8 p -117.83 103.41 9.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' VAL . . . . . 1.151 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 2.7 p -91.93 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . 1.06 ' HA ' ' O ' ' A' ' 185' ' ' THR . 12.9 pt20 -102.6 128.02 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 1.062 ' HB ' ' HA ' ' A' ' 183' ' ' PRO . 64.6 t -86.03 137.5 20.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . 0.963 ' H ' ' CG2' ' A' ' 224' ' ' THR . 41.3 t -130.98 -98.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.593 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' SER . . . . . 0.544 ' O ' HG23 ' A' ' 224' ' ' THR . 0.3 OUTLIER -100.27 -163.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.581 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' ASP . . . . . 0.463 ' CG ' ' H ' ' A' ' 222' ' ' VAL . 22.4 p-10 -86.85 -62.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . 0.463 ' H ' ' CG ' ' A' ' 221' ' ' ASP . 87.6 t -70.09 -24.73 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.476 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -73.92 -56.78 4.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.963 ' CG2' ' H ' ' A' ' 219' ' ' SER . 46.9 p -54.64 -36.87 65.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.47 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.54 -57.1 14.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.483 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -57.09 -30.52 64.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.374 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -67.61 -38.76 84.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.401 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.438 ' CE1' HG11 ' A' ' 216' ' ' VAL . 38.4 m-85 -67.74 -53.94 23.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.389 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' ILE . . . . . 0.434 HD12 ' N ' ' A' ' 229' ' ' ILE . 1.7 mp -52.2 -27.32 9.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.359 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . 0.487 ' O ' ' ND2' ' A' ' 234' ' ' ASN . 65.7 tttm -74.84 -36.71 62.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.338 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' ILE . . . . . 0.426 HD11 ' HB ' ' A' ' 216' ' ' VAL . 95.5 mt -67.5 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.44 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' A' ' 177' ' ' TRP . 54.5 mt -70.05 -44.5 78.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.412 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -57.1 -47.03 82.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.455 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 230' ' ' LYS . 3.2 m-80 -69.6 -43.89 71.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.15 -51.96 61.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.428 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -60.21 -44.12 95.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.445 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' ASN . . . . . 0.446 ' OD1' ' NH2' ' B' ' 544' ' ' ARG . 93.8 m-20 -60.01 -40.21 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.456 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -69.75 -34.35 73.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.536 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -68.46 -44.44 74.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -68.16 -38.98 82.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 237' ' ' ASN . 19.6 m -61.5 -45.7 93.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.521 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.6 -30.57 71.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 4.5 mm -69.24 -47.49 73.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.4 p -60.67 -34.26 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -66.84 -42.97 84.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.563 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . 0.612 HD21 ' CB ' ' B' ' 484' ' ' SER . 51.9 m-20 -62.13 -34.6 76.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.532 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 247' ' ' TYR . . . . . 0.479 ' OH ' HD22 ' A' ' 206' ' ' LEU . 2.7 m-85 -64.89 -31.96 73.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.549 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -73.21 -50.87 20.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.55 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 253' ' ' THR . 12.4 m -64.8 -34.78 79.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.614 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . 0.538 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 26.8 mtp -72.93 -14.44 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.508 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 3.8 p -112.99 -10.13 13.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.577 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 252' ' ' ASP . . . . . 0.629 ' O ' ' OG1' ' A' ' 253' ' ' THR . 98.1 m-20 -132.14 47.75 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.566 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 253' ' ' THR . . . . . 0.629 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 7.9 m 175.75 -79.0 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.559 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . 0.514 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 10.4 m -53.5 -61.28 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -47.65 -57.56 5.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.579 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.16 -11.84 34.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.562 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.22 -18.24 30.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 93.9 mt -78.03 -91.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 259' ' ' ARG . . . . . 0.672 HH22 ' CA ' ' B' ' 521' ' ' GLU . 0.0 OUTLIER -98.67 174.43 6.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.435 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 260' ' ' ARG . . . . . 0.54 ' O ' ' CE1' ' B' ' 411' ' ' TYR . 20.0 mmm180 -109.17 153.2 24.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -83.7 -11.32 57.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.59 133.29 3.13 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.511 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 263' ' ' PRO . . . . . 0.707 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 74.5 Cg_exo -43.99 135.39 7.94 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.895 2.396 . . . . 0.0 112.057 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 264' ' ' VAL . . . . . 0.499 HG22 ' CD ' ' C' ' 604' ' ' LYS . 61.5 t -37.71 -38.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.655 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 265' ' ' THR . . . . . . . . . . . . . 67.5 p -64.2 -5.4 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.681 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 266' ' ' ARG . . . . . 0.698 ' N ' ' O ' ' A' ' 263' ' ' PRO . 33.8 ttt180 54.15 55.53 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.5 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 267' ' ' THR . . . . . 0.64 ' O ' ' C ' ' A' ' 268' ' ' LYS . 1.9 m 173.3 114.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.433 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.64 ' C ' ' O ' ' A' ' 267' ' ' THR . 53.3 mtpt -16.85 131.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 269' ' ' ILE . . . . . 0.578 HD12 ' H ' ' A' ' 269' ' ' ILE . 3.8 mp -50.29 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.514 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.799 ' O ' ' N ' ' A' ' 273' ' ' LYS . 67.0 t0 -117.12 58.55 0.78 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.531 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 271' ' ' TRP . . . . . 0.602 ' C ' ' O ' ' A' ' 270' ' ' ASP . 72.3 m95 -21.5 -55.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.623 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 270' ' ' ASP . 73.8 m-20 -44.57 -25.55 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.65 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . 1.229 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 9.7 pttt -99.97 -7.73 24.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.612 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 274' ' ' ILE . . . . . 0.593 ' N ' ' O ' ' A' ' 271' ' ' TRP . 15.3 mm -103.13 -1.21 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . 0.705 ' O ' ' CB ' ' A' ' 276' ' ' SER . 76.8 mt -111.07 44.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.508 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . 1.29 ' O ' ' N ' ' A' ' 278' ' ' LYS . 4.9 p 141.97 -38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 1.229 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 64.9 t80 -30.99 43.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.657 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 278' ' ' LYS . . . . . 1.29 ' N ' ' O ' ' A' ' 276' ' ' SER . 17.8 tptm -107.66 80.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.642 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 1.046 ' O ' ' O ' ' A' ' 280' ' ' GLY . 3.0 pt 54.25 3.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 1.046 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.69 -135.11 0.0 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.547 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 302' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 19.5 t . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -42.77 -51.26 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.479 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -55.27 -34.22 63.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 302' ' ' SER . 96.2 mt-30 -60.64 -49.13 78.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.43 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.23 -40.6 77.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.437 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.85 95.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.37 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 96.5 m -68.1 -37.16 80.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.395 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.727 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.27 -42.06 96.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.341 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 310' ' ' LEU . . . . . 0.667 ' O ' HD23 ' B' ' 310' ' ' LEU . 1.1 tt -67.36 -38.41 84.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.339 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -68.36 -33.59 74.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.324 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.7 tp -68.81 -43.76 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.379 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 96.0 mmm -64.4 -25.57 68.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.383 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . 0.415 ' O ' ' OD1' ' A' ' 203' ' ' ASN . 63.9 mtp180 -82.31 -12.38 58.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 315' ' ' ARG . . . . . 0.593 HH11 ' HG2' ' B' ' 315' ' ' ARG . 49.5 mtt-85 -100.04 -46.87 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.518 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.66 147.73 95.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.59 128.38 20.8 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.859 2.372 . . . . 0.0 112.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 318' ' ' PRO . . . . . 0.437 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.3 Cg_endo -71.4 -4.1 14.3 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.913 2.409 . . . . 0.0 112.048 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . 0.534 HE21 HG21 ' A' ' 207' ' ' VAL . 9.3 pt20 -80.52 -17.87 50.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.548 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -123.9 39.55 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.543 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 321' ' ' ILE . . . . . 0.437 HG13 ' HA ' ' B' ' 318' ' ' PRO . 86.0 mt -63.4 -40.93 90.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.7 -60.8 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -54.63 -54.41 41.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.503 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -54.67 -55.79 25.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.447 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 42.8 tp -47.13 -48.93 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.458 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.9 t -57.14 -49.68 75.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.382 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.35 -40.77 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' LEU . . . . . 0.727 HD21 ' HB1' ' B' ' 309' ' ' ALA . 61.1 tp -55.5 -41.06 72.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.507 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.44 -41.2 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.423 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.76 -37.96 74.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.462 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.27 -29.06 64.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 t -144.54 84.64 9.04 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.473 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -68.16 -5.52 15.0 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.723 2.282 . . . . 0.0 112.082 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 96.5 p -89.35 -6.44 56.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.613 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.476 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 89.8 mt -119.07 20.9 12.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.649 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' CYS . . . . . 0.433 ' SG ' HD11 ' B' ' 340' ' ' LEU . 11.6 t -64.1 -55.9 18.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.518 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -60.34 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.505 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.7 -36.16 73.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.535 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . 0.476 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 74.6 mt -79.04 -28.63 43.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.615 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' LEU . . . . . 0.643 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 40.4 mt -81.54 12.47 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.567 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.3 p -144.08 -3.76 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.57 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 59.7 p -119.38 -15.49 9.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 84.1 t -105.88 120.03 56.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.483 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.82 128.63 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.642 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.447 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.29 165.94 28.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.552 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -44.41 125.28 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.835 2.357 . . . . 0.0 112.095 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.67 122.48 17.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.691 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -88.65 148.79 23.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 66.9 mt -102.93 136.36 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.729 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' ALA . . . . . 0.722 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.65 157.65 33.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.437 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -114.31 143.35 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.602 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.975 ' O ' ' N ' ' B' ' 356' ' ' GLY . 67.7 m-20 -111.9 81.39 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.494 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 88.7 tttt -37.23 -63.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.583 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' VAL . . . . . 0.467 HG23 ' H ' ' B' ' 355' ' ' VAL . 0.7 OUTLIER -39.5 -52.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.589 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' VAL . . . . . 0.467 ' H ' HG23 ' B' ' 354' ' ' VAL . 43.7 t -92.94 -25.47 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.644 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.975 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.62 70.66 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 352' ' ' ASP . 13.4 tptm -115.06 154.93 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 0.0 110.613 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' ASP . . . . . 0.722 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 97.3 m-20 -94.84 143.1 26.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.601 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.696 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 29.6 p90 -139.68 135.74 33.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 64.9 mt -69.19 156.65 38.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' B' ' 365' ' ' ASN . 66.3 mt -108.58 158.57 17.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 362' ' ' CYS . . . . . 0.564 ' HG ' ' CG ' ' B' ' 365' ' ' ASN . 25.1 p -168.23 168.64 11.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 363' ' ' ASP . . . . . 0.643 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 26.9 t70 -75.56 -10.27 59.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 364' ' ' TYR . . . . . 0.623 ' CD1' ' CH2' ' B' ' 422' ' ' TRP . 42.1 m-85 -88.37 -18.17 28.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.503 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 365' ' ' ASN . . . . . 0.564 ' CG ' ' HG ' ' B' ' 362' ' ' CYS . 33.7 p-10 -123.25 24.79 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 366' ' ' ARG . . . . . 0.513 HH22 HD13 ' B' ' 340' ' ' LEU . 31.1 ttp180 -119.94 129.89 54.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.52 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -122.27 99.51 6.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.74 1.75 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -126.29 8.68 7.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.584 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 370' ' ' SER . . . . . 1.01 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 24.5 p -122.41 161.33 23.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.363 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 371' ' ' TYR . . . . . 1.116 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 82.1 m-85 -118.26 150.77 38.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.564 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . 0.598 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 7.3 ttp180 -98.81 124.75 43.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.621 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 373' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 29.4 t -79.54 133.71 59.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.808 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.84 -14.78 19.26 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.855 2.37 . . . . 0.0 112.241 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -85.9 -66.23 0.92 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.6 p -83.15 -18.67 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.566 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 377' ' ' ASN . . . . . 0.593 ' HA ' ' O ' ' B' ' 373' ' ' SER . 42.6 t30 70.31 40.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -141.58 137.88 32.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.589 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 379' ' ' TYR . . . . . 1.116 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 34.9 m-85 -65.79 140.44 58.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . 0.76 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.99 -60.41 6.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.347 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 1.01 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.7 Cg_exo -65.41 120.02 7.15 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.952 2.435 . . . . 0.0 112.347 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -41.54 79.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.995 2.463 . . . . 0.0 112.306 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.662 HD12 ' OG ' ' B' ' 370' ' ' SER . 0.5 OUTLIER -84.5 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.51 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.633 ' H ' HD23 ' B' ' 383' ' ' LEU . 76.3 mt-10 -111.71 -72.19 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -116.97 65.98 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.556 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 386' ' ' GLY . . . . . . . . . . . . . . . -72.2 151.71 47.39 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 387' ' ' ALA . . . . . 0.565 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.99 127.25 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.556 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 38.7 mtt -132.25 148.57 70.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -72.95 150.71 49.44 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.789 2.326 . . . . 0.0 112.149 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 142.91 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.59 -43.79 5.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -67.9 -37.79 82.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.491 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 51.4 tp -70.9 -42.42 69.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.564 ' NH1' ' OE1' ' B' ' 397' ' ' GLU . 25.1 tpt180 -55.34 -36.84 66.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -63.44 -46.65 85.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.339 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.42 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.302 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . 0.564 ' OE1' ' NH1' ' B' ' 394' ' ' ARG . 42.0 tt0 -67.76 -38.13 83.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 73.5 t -65.0 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.457 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -68.66 -37.03 79.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.357 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.96 94.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.399 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 401' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' B' ' 397' ' ' GLU . 58.3 m-80 -63.89 -39.01 93.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.362 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -72.17 -40.39 67.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.393 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.66 -48.0 79.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.395 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -69.31 -29.22 67.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.458 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.59 -38.85 67.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.435 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -77.09 -32.85 56.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.354 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.8 -18.61 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.495 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 408' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' B' ' 412' ' ' PHE . 0.0 OUTLIER -83.86 -35.48 24.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.569 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -85.16 -8.94 58.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.566 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 410' ' ' LEU . . . . . 0.684 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 55.1 mt -95.86 -17.84 20.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.572 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 411' ' ' TYR . . . . . 0.707 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.06 3.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.518 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' B' ' 408' ' ' ARG . 90.9 m-85 -100.55 -25.97 14.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.609 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 413' ' ' GLU . . . . . 0.416 ' OE1' HG21 ' A' ' 264' ' ' VAL . 26.1 tp10 63.58 24.3 13.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . 0.463 ' O ' ' CD ' ' B' ' 408' ' ' ARG . . . 162.74 -154.48 25.45 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.4 -163.49 52.94 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . . . . . . . . . 14.8 t -128.7 153.73 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.523 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 417' ' ' SER . . . . . . . . . . . . . 39.9 t -143.59 148.46 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.67 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 20.4 m -148.17 143.99 27.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.38 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 55.9 t -132.86 130.23 58.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.799 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.545 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 59.6 m-85 -128.47 132.46 48.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.366 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.411 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.2 mt -119.66 158.39 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.731 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 422' ' ' TRP . . . . . 0.978 ' NE1' ' HB3' ' B' ' 429' ' ' ALA . 33.0 p90 -154.47 110.52 3.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.513 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -43.01 159.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.636 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 424' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' B' ' 429' ' ' ALA . 57.1 mt -127.92 -147.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -87.29 -49.87 6.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.545 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.77 30.75 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.66 2.57 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -170.77 154.05 4.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . 0.978 ' HB3' ' NE1' ' B' ' 422' ' ' TRP . . . -123.95 172.85 8.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.536 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.13 161.72 35.06 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 431' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 10.6 p -130.07 126.38 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.527 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 432' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.35 113.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.579 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' B' ' 450' ' ' SER . 55.2 mt -102.85 143.2 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 434' ' ' ILE . . . . . 0.568 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 30.9 mt -148.72 119.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -122.55 127.53 49.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 436' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' B' ' 437' ' ' ALA . 0.0 OUTLIER -137.19 119.59 15.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.548 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . 0.515 ' N ' ' HD2' ' B' ' 436' ' ' LYS . . . -103.9 138.18 40.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.587 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.1 179.48 45.2 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 439' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' B' ' 441' ' ' SER . 5.5 t70 -50.72 128.08 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.541 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.66 9.75 76.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 441' ' ' SER . . . . . 0.571 ' N ' ' OD1' ' B' ' 439' ' ' ASP . 45.1 p -110.35 -4.31 15.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.748 0.309 . . . . 0.0 110.576 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.575 ' NZ ' ' NE2' ' C' ' 640' ' ' HIS . 42.5 mmtt -89.19 153.92 20.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.485 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 443' ' ' LYS . . . . . 0.458 ' HZ2' ' HB3' ' C' ' 677' ' ' TYR . 38.5 mttp -56.93 -43.8 81.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 444' ' ' ILE . . . . . . . . . . . . . 18.1 mt -95.15 135.94 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.687 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -105.74 154.72 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.36 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.75 152.44 24.55 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.49 130.62 14.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.206 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 448' ' ' TRP . . . . . 0.565 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 6.1 t-105 -114.81 116.25 28.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.803 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 449' ' ' ASP . . . . . 0.467 ' OD1' ' O ' ' B' ' 474' ' ' MET . 0.9 OUTLIER -109.47 127.22 54.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.258 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 450' ' ' SER . . . . . 0.568 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 0.9 OUTLIER -115.98 122.69 46.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.402 . . . . 0.0 110.908 -179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 10.7 mt -127.85 100.79 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.219 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 452' ' ' HIS . . . . . 0.754 ' CG ' ' HG ' ' B' ' 471' ' ' SER . 13.3 m-70 -108.69 132.47 53.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.83 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 453' ' ' VAL . . . . . . . . . . . . . 67.2 t -128.77 95.65 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.234 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 454' ' ' VAL . . . . . 0.425 HG22 ' N ' ' B' ' 455' ' ' GLU . 11.7 p -96.71 153.63 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 455' ' ' GLU . . . . . 0.425 ' N ' HG22 ' B' ' 454' ' ' VAL . 75.4 mt-10 -131.84 102.21 5.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.31 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 456' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.06 139.63 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -123.49 68.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.408 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 458' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' B' ' 465' ' ' ALA . 76.1 mt-10 -40.31 146.38 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.671 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 459' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' B' ' 464' ' ' THR . 24.9 mmtp -109.33 141.98 40.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.527 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.96 -54.18 16.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 78.6 p -126.7 146.5 50.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.575 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 462' ' ' GLY . . . . . 0.526 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.3 -12.7 48.13 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 463' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 59.13 -0.21 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.72 0.295 . . . . 0.0 110.609 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' B' ' 459' ' ' LYS . 14.8 t -82.25 123.62 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.443 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 465' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.77 151.89 33.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.752 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 466' ' ' HIS . . . . . 0.527 ' CG ' ' OD1' ' B' ' 500' ' ' ASP . 1.4 t-160 -92.93 126.54 38.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.352 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 467' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -103.15 139.47 38.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.98 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . 0.403 ' CE ' ' NE2' ' B' ' 496' ' ' GLN . 87.8 tttt -135.81 86.15 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.149 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 469' ' ' LEU . . . . . 0.634 HD12 ' H ' ' B' ' 470' ' ' THR . 58.8 tp -82.15 157.55 23.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 470' ' ' THR . . . . . 0.634 ' H ' HD12 ' B' ' 469' ' ' LEU . 15.2 m -157.87 62.9 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . 0.754 ' HG ' ' CG ' ' B' ' 452' ' ' HIS . 6.4 m -64.68 174.63 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.073 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 472' ' ' THR . . . . . 0.501 HG23 ' OG1' ' B' ' 494' ' ' THR . 51.6 m -168.78 87.5 0.19 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.136 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 473' ' ' VAL . . . . . 0.466 HG11 ' CH2' ' B' ' 448' ' ' TRP . 76.8 t -69.66 143.79 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 474' ' ' MET . . . . . 0.467 ' O ' ' OD1' ' B' ' 449' ' ' ASP . 10.3 mtp -124.75 95.96 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.186 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 475' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 8.8 tp -86.65 131.15 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -125.27 130.28 51.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 10.0 mt -137.37 124.64 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.735 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 478' ' ' GLN . . . . . 0.527 ' CD ' HD21 ' B' ' 488' ' ' ASN . 54.0 tt0 -138.13 158.13 44.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.47 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 479' ' ' THR . . . . . 0.465 HG22 ' C ' ' B' ' 478' ' ' GLN . 0.5 OUTLIER -163.41 127.5 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.628 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 480' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 14.0 m120 -108.21 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.551 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 481' ' ' LYS . . . . . 0.883 ' O ' ' N ' ' B' ' 485' ' ' GLY . 16.2 tptm -107.64 146.56 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 19.8 m -57.24 -45.94 83.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.551 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.66 -25.27 68.77 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . 0.612 ' CB ' HD21 ' A' ' 246' ' ' ASN . 73.2 m -125.95 14.9 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.553 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 485' ' ' GLY . . . . . 0.883 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.53 -96.41 0.01 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 486' ' ' THR . . . . . 0.446 ' N ' ' O ' ' B' ' 484' ' ' SER . 72.2 p -126.06 113.96 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.476 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 487' ' ' MET . . . . . . . . . . . . . 23.5 ttt -125.12 118.07 25.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 488' ' ' ASN . . . . . 0.527 HD21 ' CD ' ' B' ' 478' ' ' GLN . 25.7 m120 -119.0 123.96 45.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.61 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 489' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 15.8 tp -131.64 76.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.653 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.4 -163.86 21.8 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 491' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' B' ' 492' ' ' SER . . . 144.86 -142.63 11.06 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 492' ' ' SER . . . . . 0.646 ' HB3' ' O ' ' B' ' 491' ' ' GLY . 80.5 p 163.23 135.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.799 0.333 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 493' ' ' LEU . . . . . . . . . . . . . 81.9 mt -110.54 149.47 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.646 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 494' ' ' THR . . . . . 0.501 ' OG1' HG23 ' B' ' 472' ' ' THR . 55.2 m -127.14 142.84 51.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -149.95 128.7 12.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.668 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 496' ' ' GLN . . . . . 0.403 ' NE2' ' CE ' ' B' ' 468' ' ' LYS . 45.8 tt0 -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.525 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 51.8 ttp -160.08 130.51 5.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.631 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -133.58 141.58 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.496 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -172.18 145.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.527 ' OD1' ' CG ' ' B' ' 466' ' ' HIS . 55.7 m-20 -91.25 125.19 35.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.487 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 501' ' ' GLU . . . . . 0.434 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.5 tt0 -120.66 160.21 23.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.596 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 53.8 m -94.29 131.84 39.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.605 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.2 t -98.65 122.39 50.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 19.7 p -142.96 -177.18 5.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.573 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.97 -35.84 77.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 506' ' ' SER . . . . . 0.416 ' O ' ' OD1' ' A' ' 272' ' ' ASN . 78.2 p -83.66 -19.87 34.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.529 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.3 t -135.43 73.46 62.92 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.55 -172.56 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.765 2.31 . . . . 0.0 112.168 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -58.75 -62.7 1.67 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.579 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 69.0 mt -42.72 -49.01 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -55.04 -49.21 72.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.626 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 512' ' ' ASN . . . . . 0.434 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 47.8 m-20 -62.95 -48.19 79.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.605 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 513' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.1 -33.61 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.572 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.7 -46.61 74.06 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -57.32 -44.36 84.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.661 0.267 . . . . 0.0 110.683 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 69.0 mt -63.23 -52.54 61.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.558 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 517' ' ' VAL . . . . . . . . . . . . . 50.2 t -55.45 -47.13 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.65 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.92 -51.69 68.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.758 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 519' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.59 -37.49 87.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.692 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 27.5 tpp -64.36 -49.45 71.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.695 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 521' ' ' GLU . . . . . 0.672 ' CA ' HH22 ' A' ' 259' ' ' ARG . 4.4 mt-10 -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.729 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 522' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -56.88 -41.5 78.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.57 -38.51 74.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 92.7 mt -74.38 -24.34 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.685 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 525' ' ' ARG . . . . . 0.659 ' CG ' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.71 -27.69 66.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.693 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 526' ' ' SER . . . . . 0.526 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 4.9 t -84.99 -38.77 18.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.665 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 12.9 m -66.04 -35.71 81.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.681 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.692 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 40.2 mt -64.99 -42.36 94.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.716 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.55 -31.32 70.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.605 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . 0.948 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.39 -54.41 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.638 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.42 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.572 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 532' ' ' TYR . . . . . 0.692 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 14.0 m-85 -50.26 -86.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.574 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.84 40.49 0.32 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.543 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . 0.948 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.06 -87.11 0.08 OUTLIER Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.466 ' O ' ' C ' ' B' ' 536' ' ' THR . 34.9 tptt -56.9 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.501 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.622 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 35.1 p -34.74 -57.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.614 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.35 -53.31 29.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.644 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -53.14 -44.97 68.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.583 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 539' ' ' ILE . . . . . 0.471 HG21 HG13 ' A' ' 196' ' ' VAL . 90.9 mt -61.72 -36.04 71.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.666 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.46 -42.0 92.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -69.73 -17.18 63.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.591 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.48 -27.37 48.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.463 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 15.1 mt -68.08 -51.44 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.715 0.293 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 544' ' ' ARG . . . . . 0.739 ' HG2' ' H ' ' B' ' 545' ' ' SER . 1.9 ttt180 -141.8 170.1 16.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.663 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 545' ' ' SER . . . . . 0.739 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 35.2 t -142.21 137.88 31.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.15 -43.48 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.493 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -82.86 138.63 33.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.627 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 548' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.51 122.11 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.52 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' B' ' 551' ' ' ASP . 95.3 mt -79.44 112.64 30.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.582 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 550' ' ' PRO . . . . . 0.573 ' O ' ' C ' ' B' ' 551' ' ' ASP . 72.1 Cg_exo -46.52 80.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.869 2.379 . . . . 0.0 112.126 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.573 ' C ' ' O ' ' B' ' 550' ' ' PRO . 52.5 p-10 -25.27 145.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.62 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -129.95 116.18 18.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -85.3 -24.72 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' B' ' 558' ' ' LEU . 1.8 mptm? -52.63 -64.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -45.23 -56.59 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.69 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.65 -46.85 83.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 557' ' ' GLN . . . . . 0.408 ' O ' ' CD ' ' B' ' 557' ' ' GLN . 13.7 tm0? -65.84 -29.65 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' B' ' 554' ' ' LYS . 58.5 tp -77.81 -30.29 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.702 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -73.65 -36.29 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.688 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -58.2 -40.58 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 561' ' ' GLU . . . . . 0.574 ' O ' HG23 ' B' ' 565' ' ' VAL . 97.4 mt-10 -67.84 -61.68 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.726 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.884 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 84.4 mt -49.12 -40.72 33.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.5 m -61.15 -76.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' B' ' 561' ' ' GLU . 7.3 pt20 -36.69 -13.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.721 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.884 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.3 t -72.07 -42.69 67.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.637 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' B' ' 563' ' ' SER . 49.1 mt -81.49 -35.59 30.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.4 p -70.31 -19.57 63.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -117.54 6.64 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.739 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 24.3 ttp180 -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.824 ' O ' HG22 ' B' ' 571' ' ' ILE . 40.0 tt0 139.76 128.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 571' ' ' ILE . . . . . 0.824 HG22 ' O ' ' B' ' 570' ' ' GLN . 13.8 tt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.46 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 601' ' ' MET . . . . . 0.504 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 7.6 m 62.11 5.99 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.53 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -49.76 -37.86 31.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 604' ' ' LYS . . . . . 0.499 ' CD ' HG22 ' A' ' 264' ' ' VAL . 64.9 tttp -69.66 -52.26 27.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.512 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -55.09 -28.92 56.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -75.64 -53.67 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.568 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 607' ' ' MET . . . . . 0.411 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 12.0 ptt? -72.77 -36.82 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 608' ' ' TRP . . . . . 0.411 ' N ' ' CG ' ' C' ' 607' ' ' MET . 73.6 t-105 -56.74 -16.08 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 609' ' ' ALA . . . . . 0.575 ' HB3' HG13 ' C' ' 618' ' ' VAL . . . -76.44 -50.58 13.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.645 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 610' ' ' LEU . . . . . 0.73 ' CD2' HG11 ' C' ' 618' ' ' VAL . 10.8 mt -66.31 1.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.607 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 611' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' C' ' 609' ' ' ALA . 18.8 mmtt -102.05 -66.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 612' ' ' ASN . . . . . 0.405 ' OD1' ' NE1' ' C' ' 608' ' ' TRP . 4.2 m120 -70.41 -4.18 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.643 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 613' ' ' GLY . . . . . 0.605 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 82.96 21.97 58.41 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 614' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' C' ' 616' ' ' ASP . 3.6 m-20 -63.96 49.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 615' ' ' LEU . . . . . 0.986 ' O ' HD13 ' C' ' 615' ' ' LEU . 3.1 tm? -45.0 -17.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 616' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' C' ' 614' ' ' ASP . 57.4 m-20 -77.78 -27.46 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.559 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 617' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' C' ' 614' ' ' ASP . 75.7 mm-40 -81.53 -49.87 10.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.559 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 618' ' ' VAL . . . . . 0.73 HG11 ' CD2' ' C' ' 610' ' ' LEU . 1.4 m -62.86 -28.34 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 619' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.8 tttm -66.23 -21.87 66.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 620' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 34.3 t70 -75.38 -45.46 39.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 621' ' ' TYR . . . . . 0.961 ' OH ' HG22 ' C' ' 628' ' ' VAL . 0.1 OUTLIER -60.91 -59.15 5.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.581 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 622' ' ' VAL . . . . . 0.882 ' N ' ' CD1' ' C' ' 621' ' ' TYR . 1.4 p -57.75 -27.92 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.544 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 623' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.66 -16.76 6.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.639 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -64.76 -76.83 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.616 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 625' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.38 0.1 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 626' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' C' ' 625' ' ' GLY . 97.4 mt-10 34.2 95.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.584 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 627' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.96 62.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 628' ' ' VAL . . . . . 0.961 HG22 ' OH ' ' C' ' 621' ' ' TYR . 1.9 t -121.98 76.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.508 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -173.06 5.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 630' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -78.99 166.86 21.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.538 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 631' ' ' THR . . . . . 0.497 ' O ' ' C ' ' C' ' 632' ' ' LEU . 25.7 p -82.08 87.61 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.651 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 632' ' ' LEU . . . . . 0.497 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.0 tp -31.24 -88.33 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.632 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -71.7 -76.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.549 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.75 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 635' ' ' GLY . . . . . 0.5 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.45 22.79 0.18 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 636' ' ' ARG . . . . . 0.576 ' NH2' ' OG1' ' A' ' 253' ' ' THR . 91.5 mtt180 -127.97 164.89 21.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.494 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 637' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' C' ' 639' ' ' LEU . 0.1 OUTLIER -108.4 156.98 37.65 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.614 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 638' ' ' PRO . . . . . 0.423 ' O ' ' CD1' ' C' ' 654' ' ' LEU . 58.2 Cg_endo -73.59 24.98 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.849 2.366 . . . . 0.0 112.158 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 639' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.2 mp -117.72 -16.31 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.564 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 640' ' ' HIS . . . . . 0.575 ' NE2' ' NZ ' ' B' ' 442' ' ' LYS . 77.5 t60 -75.2 -43.85 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -71.7 -36.01 70.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.493 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 642' ' ' ALA . . . . . 0.68 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.87 -44.99 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.59 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.04 -48.44 62.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 644' ' ' ASP . . . . . 0.446 ' OD2' ' OE1' ' C' ' 678' ' ' GLU . 5.0 t70 -60.7 -35.65 76.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.555 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 645' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' C' ' 645' ' ' CYS . 28.0 t -160.82 65.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.621 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 646' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.13 4.46 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 647' ' ' GLN . . . . . 0.435 HE21 ' CD ' ' C' ' 649' ' ' GLU . 24.7 mt-30 51.62 4.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 110.57 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 648' ' ' LEU . . . . . 0.922 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.2 OUTLIER 71.55 6.95 5.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.59 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 649' ' ' GLU . . . . . 0.435 ' CD ' HE21 ' C' ' 647' ' ' GLN . 8.4 pt-20 -115.68 -12.68 11.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.611 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 650' ' ' ILE . . . . . 0.561 HG21 HD23 ' C' ' 610' ' ' LEU . 1.0 OUTLIER -87.44 -36.19 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 1.09 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.39 -52.91 61.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 652' ' ' GLU . . . . . 0.814 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 18.4 pt-20 -56.15 -22.62 29.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.523 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 653' ' ' PHE . . . . . 0.986 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.0 t80 -75.84 -97.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 654' ' ' LEU . . . . . 0.715 HD23 ' H ' ' C' ' 654' ' ' LEU . 0.0 OUTLIER -41.44 6.87 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 655' ' ' LEU . . . . . 0.986 ' N ' ' O ' ' C' ' 653' ' ' PHE . 5.5 tt -102.95 -47.93 4.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.554 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.579 ' N ' HD23 ' C' ' 655' ' ' LEU . 56.8 tp -59.21 -25.38 63.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -72.8 -90.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.505 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 658' ' ' GLY . . . . . 0.589 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.32 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 659' ' ' ALA . . . . . 0.708 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.11 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.824 0.345 . . . . 0.0 110.584 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 660' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' C' ' 662' ' ' ASN . 93.9 m-20 -57.4 10.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 661' ' ' ILE . . . . . 0.708 ' H ' ' C ' ' C' ' 659' ' ' ALA . 11.7 pt -66.08 1.91 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.496 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 662' ' ' ASN . . . . . 1.102 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.7 p30 -163.72 -18.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.556 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 663' ' ' ALA . . . . . 0.774 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.66 0.28 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.565 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 664' ' ' PRO . . . . . 1.102 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 79.4 Cg_exo -46.97 120.85 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.828 2.352 . . . . 0.0 112.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 665' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -125.91 -50.48 1.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.513 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 666' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -78.86 -16.08 57.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 667' ' ' HIS . . . . . 0.5 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 36.7 m80 -80.56 -6.23 57.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 668' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' C' ' 668' ' ' HIS . 86.5 t60 40.49 37.35 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 669' ' ' ILE . . . . . 0.414 HG22 ' O ' ' C' ' 667' ' ' HIS . 6.0 tt -176.9 147.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.521 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 670' ' ' THR . . . . . 0.407 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.0 OUTLIER -96.19 168.67 10.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 671' ' ' PRO . . . . . 0.498 ' HA ' ' OG ' ' C' ' 674' ' ' SER . 49.5 Cg_endo -72.46 -30.48 12.36 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.828 2.352 . . . . 0.0 112.132 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 7.5 tt -45.34 -49.1 13.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.506 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 673' ' ' LEU . . . . . 0.618 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 44.6 mt -67.82 -27.85 67.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.612 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 674' ' ' SER . . . . . 0.498 ' OG ' ' HA ' ' C' ' 671' ' ' PRO . 23.8 m -51.75 -40.9 61.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 675' ' ' ALA . . . . . 0.424 ' HB3' ' CG2' ' C' ' 684' ' ' VAL . . . -74.55 -30.0 61.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.593 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 676' ' ' VAL . . . . . 0.618 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 15.1 t -47.14 -66.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.512 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 677' ' ' TYR . . . . . 0.458 ' HB3' ' HZ2' ' B' ' 443' ' ' LYS . 0.3 OUTLIER -77.8 39.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.608 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 678' ' ' GLU . . . . . 0.446 ' OE1' ' OD2' ' C' ' 644' ' ' ASP . 31.3 tp10 -124.51 -28.64 3.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.28 -11.31 72.43 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 680' ' ' HIS . . . . . 0.904 ' O ' ' N ' ' C' ' 682' ' ' SER . 17.8 m80 -72.01 -53.46 12.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.849 0.357 . . . . 0.0 110.584 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 681' ' ' VAL . . . . . . . . . . . . . 2.1 t 43.23 -4.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.619 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 682' ' ' SER . . . . . 0.904 ' N ' ' O ' ' C' ' 680' ' ' HIS . 78.1 p -67.5 -24.25 65.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.536 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 683' ' ' CYS . . . . . 0.469 ' O ' ' HB2' ' C' ' 687' ' ' LEU . 1.0 OUTLIER -90.92 -48.69 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 684' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' C' ' 675' ' ' ALA . 64.2 t -41.91 -34.89 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.545 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 685' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' C' ' 687' ' ' LEU . 19.8 tptp -62.55 -73.4 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.93 1.89 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 687' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' C' ' 685' ' ' LYS . 1.5 tt -81.86 -70.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 688' ' ' LEU . . . . . 0.486 HD12 ' O ' ' C' ' 693' ' ' ASP . 7.1 tt -45.68 -21.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.493 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 689' ' ' SER . . . . . 0.426 ' N ' ' C ' ' C' ' 687' ' ' LEU . 37.6 t -55.75 -21.56 19.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -99.68 -6.26 27.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.468 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 691' ' ' GLY . . . . . 1.092 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.91 0.42 Allowed Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 692' ' ' ALA . . . . . 0.577 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.16 18.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.561 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 693' ' ' ASP . . . . . 1.092 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.7 OUTLIER 33.13 -128.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.597 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 694' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -152.47 -23.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.628 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 695' ' ' THR . . . . . . . . . . . . . 38.0 m -156.53 73.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.552 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 696' ' ' VAL . . . . . . . . . . . . . 4.9 t -93.5 -29.56 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -140.18 23.57 2.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.601 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.77 20.32 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 699' ' ' PRO . . . . . 0.785 ' HG2' HD22 ' C' ' 702' ' ' LEU . 89.3 Cg_exo -44.8 -27.76 2.58 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 0.0 112.11 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 700' ' ' ASP . . . . . 0.647 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 21.7 t70 157.72 -112.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.568 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 701' ' ' GLY . . . . . 0.571 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.84 0.37 89.14 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 702' ' ' LEU . . . . . 0.785 HD22 ' HG2' ' C' ' 699' ' ' PRO . 8.3 mp -53.9 -66.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.601 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 703' ' ' THR . . . . . 0.89 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 91.0 m 16.15 -95.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.551 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 704' ' ' ALA . . . . . 0.424 ' N ' HG22 ' C' ' 703' ' ' THR . . . -106.67 -18.65 13.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 705' ' ' LEU . . . . . 0.627 HD23 HD23 ' C' ' 717' ' ' LEU . 0.3 OUTLIER -62.83 -75.51 0.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.599 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 706' ' ' GLU . . . . . 0.581 ' HB3' ' HG ' ' C' ' 702' ' ' LEU . 3.5 tt0 -80.67 15.12 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.43 -70.67 0.55 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 708' ' ' THR . . . . . 0.641 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.7 m -139.79 -142.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.591 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 709' ' ' ASP . . . . . 0.641 ' H ' HG22 ' C' ' 708' ' ' THR . 78.4 m-20 -148.82 -4.4 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 710' ' ' ASN . . . . . 0.424 HD22 ' HB3' ' C' ' 712' ' ' ALA . 65.5 t30 -72.57 151.84 42.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.55 -20.52 62.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.536 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 712' ' ' ALA . . . . . 0.424 ' HB3' HD22 ' C' ' 710' ' ' ASN . . . -60.17 -60.41 3.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.666 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 9.4 mt -70.02 -37.67 73.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -52.04 -29.93 23.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.23 14.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 716' ' ' LEU . . . . . 1.078 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.03 98.37 1.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.593 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 717' ' ' LEU . . . . . 1.078 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 5.2 mp 124.14 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.583 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 718' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.615 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.742 HG13 ' O ' ' A' ' 8' ' ' VAL . 10.6 p -54.1 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.787 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 t -45.98 163.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.647 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' O ' HG23 ' A' ' 14' ' ' VAL . 92.9 m-20 -64.89 -33.66 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.45 -39.35 87.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -67.58 -40.93 84.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.573 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' CB ' ' NZ ' ' A' ' 13' ' ' LYS . 9.1 mtmp? -63.69 -35.92 82.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.551 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 10' ' ' ASP . 64.5 t -65.23 -43.79 95.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.574 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -61.53 -39.73 92.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.739 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -47.38 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.95 75.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.567 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -37.7 75.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.8 tttt -65.89 -41.34 91.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -65.16 -44.85 87.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.632 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.65 -46.48 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.591 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.0 p -76.01 8.44 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.58 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 2.2 m80 -123.69 15.28 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.599 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.44 146.93 81.69 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.531 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.547 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 18.9 Cg_endo -68.16 167.54 21.65 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.808 2.338 . . . . 0.0 112.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -70.94 116.25 4.6 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.692 2.261 . . . . 0.0 112.108 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.15 21.44 35.54 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.547 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 52.1 mt-10 -149.3 37.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.576 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -73.85 -48.89 27.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.562 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -57.06 -57.39 12.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -44.5 -54.46 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' ' 36' ' ' VAL . 54.8 t -60.78 -42.53 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 77.4 t80 -59.15 -50.88 72.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -60.04 -37.93 81.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.684 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -64.08 -42.07 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.596 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 32' ' ' VAL . 94.8 t -67.06 -41.83 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.595 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HE ' ' CD2' ' A' ' 46' ' ' LEU . 42.3 ttm180 -56.4 -54.85 40.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.554 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.28 -34.77 72.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.567 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.3 mt -73.17 -49.8 26.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.661 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD12 HD22 ' B' ' 331' ' ' LEU . 13.6 tp -61.71 -32.6 72.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.588 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.464 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.9 t30 46.58 49.71 13.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.9 m-20 -168.63 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.656 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -51.86 -37.87 53.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.655 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -54.2 -44.15 71.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.582 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 45' ' ' LEU . 8.9 mp -77.32 -30.81 54.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 36.9 tp -62.81 -38.64 91.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.621 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -40.92 -59.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.581 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.91 48.65 0.92 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.13 -56.72 3.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 110.612 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.57 87.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -54.23 -37.08 64.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.597 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.45 -54.36 12.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.474 ' HB3' ' HB3' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -46.55 -56.65 5.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.511 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.59 -72.72 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 55' ' ' ALA . 59.4 tt0 -33.58 -45.89 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.641 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.02 -72.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.582 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -46.98 -30.96 2.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.502 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.611 ' SD ' ' N ' ' A' ' 60' ' ' ASP . 12.7 tmm? -68.84 -66.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.611 ' N ' ' SD ' ' A' ' 59' ' ' MET . 57.8 m-20 -67.94 10.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 98.4 mm-40 -124.53 24.78 7.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.591 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.592 ' C ' ' O ' ' A' ' 61' ' ' GLN . 11.4 m-30 23.91 44.81 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 20.7 m -58.85 111.32 3.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.599 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.69 115.25 4.14 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.873 2.382 . . . . 0.0 112.208 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.435 HG11 ' CE1' ' A' ' 98' ' ' PHE . 34.0 m -109.44 165.99 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.522 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -125.21 103.93 8.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.66 ' O ' ' C ' ' A' ' 68' ' ' GLU . 1.6 mp -51.5 148.3 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.637 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.66 ' C ' ' O ' ' A' ' 67' ' ' ILE . 81.8 tt0 -13.28 -78.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.44 75.1 0.32 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.798 ' O ' ' N ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -137.48 14.84 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.843 0.354 . . . . 0.0 110.619 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 62.1 t0 20.15 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.501 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 1.061 ' O ' ' N ' ' A' ' 74' ' ' VAL . 46.7 p-10 -98.82 19.43 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.525 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.704 ' C ' ' O ' ' A' ' 72' ' ' ASP . 23.6 mt-30 -0.23 50.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.487 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.061 ' N ' ' O ' ' A' ' 72' ' ' ASP . 10.3 p -63.93 173.35 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.58 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.886 HD22 ' C ' ' A' ' 74' ' ' VAL . 2.4 mm? -113.4 152.29 30.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.505 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -104.05 105.5 18.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.599 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.416 HG22 ' CD1' ' A' ' 62' ' ' PHE . 16.5 p -130.15 -176.88 4.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.61 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -78.87 -31.24 45.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.562 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 84.4 m-70 -64.0 -23.59 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.558 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.528 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.23 15.7 50.4 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.51 100.08 11.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.77 0.319 . . . . 0.0 110.596 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.8 tp -49.67 -51.53 37.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.543 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -116.06 1.21 13.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.17 -15.77 9.34 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -108.34 168.72 9.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.337 . . . . 0.0 110.589 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.528 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 55.0 m-85 -114.51 -170.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 80' ' ' GLY . 4.3 tp -118.33 157.39 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.686 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.697 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 5.7 t0 -139.35 89.05 12.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.425 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.569 ' HG2' ' O ' ' A' ' 143' ' ' VAL . 24.2 Cg_exo -61.04 -36.63 81.35 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.847 2.364 . . . . 0.0 111.992 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -59.48 -75.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.461 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.718 HD22 ' N ' ' A' ' 92' ' ' ASN . 0.6 OUTLIER -76.44 -20.33 57.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.581 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.697 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 28.3 ttmt 62.75 62.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.499 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.515 ' CD1' ' CD2' ' A' ' 70' ' ' TYR . 21.7 pt -146.52 154.42 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.581 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.822 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 1.7 m -92.65 133.02 36.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.588 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.707 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 24.0 p90 -140.14 136.62 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.539 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.695 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 88.4 tttt -88.69 113.42 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.61 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.867 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 46.9 t80 -82.65 133.08 35.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.562 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.528 ' O ' ' O ' ' A' ' 102' ' ' ARG . 32.4 t0 -104.56 90.05 3.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.571 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -36.36 -67.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.0 tp -47.46 -81.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.619 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.3 tpt180 -52.76 156.29 2.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.606 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -88.87 2.31 53.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -117.21 150.26 39.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.598 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.867 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.26 79.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 60.5 m -95.57 -164.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.56 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 4.8 t70 73.72 54.55 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.556 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.822 ' HA ' ' O ' ' A' ' 95' ' ' SER . 58.3 Cg_endo -73.55 -177.8 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.812 2.341 . . . . 0.0 112.083 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -160.13 124.6 2.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.482 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -47.17 130.98 17.43 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.885 2.39 . . . . 0.0 112.008 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' A' ' 111' ' ' GLU . 11.1 tm-20 -122.91 102.5 8.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.512 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 49.4 p-10 -75.48 88.43 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.643 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.417 ' H ' ' HD3' ' A' ' 93' ' ' LYS . 9.4 t -46.92 164.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.556 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -76.11 -30.02 58.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.649 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m 71.92 35.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.512 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.75 -59.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.501 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.814 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 21.3 tp -104.09 3.32 33.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.546 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.521 ' HB2' ' HZ2' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -54.02 -41.91 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.466 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -39.18 -55.96 1.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.552 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.706 ' CD1' HD12 ' A' ' 117' ' ' LEU . 60.5 m95 -62.54 -47.6 83.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.563 ' O ' ' C ' ' A' ' 122' ' ' ASP . 3.0 tmm_? -53.9 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.563 ' C ' ' O ' ' A' ' 121' ' ' ARG . 66.4 t0 -25.51 -45.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.489 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.23 0.45 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.58 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 71.3 m -51.13 -48.56 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.442 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 68.5 t0 -40.42 -80.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.626 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.56 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 81.2 p -47.99 -46.16 32.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.33 -51.43 34.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tt -72.83 -12.29 60.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.469 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.56 ' HB3' ' O ' ' A' ' 126' ' ' SER . 44.9 ttm180 -66.37 -32.81 74.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.607 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.56 -39.26 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -54.73 -38.81 67.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.465 ' C ' ' H ' ' A' ' 134' ' ' ASP . 99.2 t -74.79 -40.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.475 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.429 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 98.4 mttt -76.16 25.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.537 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 80.3 m-20 -147.58 7.63 0.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.56 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -151.01 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.532 ' OH ' ' CE2' ' A' ' 173' ' ' TRP . 85.0 m-85 -114.63 106.45 52.22 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.647 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.461 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 51.4 Cg_exo -51.58 -57.24 2.3 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.829 2.352 . . . . 0.0 112.031 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -127.55 50.14 2.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.575 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.83 163.62 12.64 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.536 ' CZ ' ' OE1' ' A' ' 73' ' ' GLN . 61.7 m-85 -135.1 158.13 45.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.811 0.338 . . . . 0.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 0.5 OUTLIER -129.5 162.36 28.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.532 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . 0.473 ' OG1' HD23 ' A' ' 75' ' ' LEU . 27.2 m -161.46 97.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.569 ' O ' ' HG2' ' A' ' 90' ' ' PRO . 41.5 t -75.73 143.36 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.594 ' HB2' ' HB ' ' A' ' 155' ' ' ILE . 43.3 m-85 -120.2 124.34 45.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.572 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.78 84.59 0.37 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -123.79 167.41 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.856 0.36 . . . . 0.0 110.537 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 47.2 t -107.64 115.41 30.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.475 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 148' ' ' ILE . 1.2 tp -91.13 104.09 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 46.68 54.19 9.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.511 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.85 -62.78 4.18 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -53.77 129.79 34.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.756 0.312 . . . . 0.0 110.639 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.648 ' H ' HG21 ' A' ' 181' ' ' ILE . 8.7 mt-30 -85.76 150.51 24.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.472 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.962 HG23 ' C ' ' A' ' 179' ' ' PHE . 99.4 m -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.68 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.655 HD11 ' HB2' ' A' ' 120' ' ' TRP . 15.6 mm -108.49 109.98 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.436 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 155' ' ' ILE . 3.2 mp -98.08 117.05 42.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.88 116.08 27.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.209 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.0 m -106.14 135.43 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 4.9 mp -122.77 137.68 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.22 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.542 ' OE2' ' ND1' ' A' ' 161' ' ' HIS . 14.7 tm-20 -131.3 151.91 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.727 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.0 OUTLIER -170.94 121.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.186 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 8.0 p-80 -140.65 170.58 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.972 -179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 98.4 mm-40 -148.62 77.82 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.223 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -65.35 147.43 53.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.017 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.599 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 30.4 tp60 -167.93 66.08 0.74 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.349 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 167' ' ' ASN . 24.2 Cg_exo -60.69 -52.09 4.18 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.803 2.335 . . . . 0.0 112.139 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -43.86 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.461 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . 0.687 ' N ' ' O ' ' A' ' 165' ' ' PRO . 58.0 t-20 -121.96 -10.48 8.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.513 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.832 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 44.1 m-85 70.11 80.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.832 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 9.3 p-90 158.81 127.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.695 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -136.02 162.39 33.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.333 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.514 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.9 163.14 29.06 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.566 ' HA ' ' HA ' ' A' ' 161' ' ' HIS . 0.1 OUTLIER -165.7 136.65 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 110.353 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' TRP . . . . . 0.727 ' N ' ' O ' ' A' ' 160' ' ' SER . 3.4 t-105 -107.6 138.92 42.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.429 ' HB3' ' CB ' ' A' ' 193' ' ' LYS . 39.5 ttt180 -125.41 152.26 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.165 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.425 ' HB2' ' NE1' ' A' ' 173' ' ' TRP . 0.3 OUTLIER -166.3 111.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.015 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 80.9 tt0 -116.41 124.68 50.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.119 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 190' ' ' ALA . 24.4 m95 -120.59 116.91 26.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.902 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -98.6 119.79 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.416 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.962 ' C ' HG23 ' A' ' 153' ' ' THR . 56.9 t80 -117.49 88.64 2.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.744 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.95 ' HA ' ' OG1' ' A' ' 153' ' ' THR . 2.9 t -50.09 -131.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.577 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 182' ' ' THR . 9.9 tp -164.35 151.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.927 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.79 61.46 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.427 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 1.036 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 95.9 Cg_exo -34.32 12.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.303 -1.839 0 C-N-CA 123.434 2.756 . . . . 0.0 112.713 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . 0.927 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 65.9 Cg_endo -79.84 -4.34 13.33 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.805 2.336 . . . . 0.0 112.089 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . 1.039 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.3 m 159.35 -18.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.261 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.175 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.84 131.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.961 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 1.029 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 85.5 mt-30 -106.76 -115.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.217 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.1 t 145.67 173.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.699 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.767 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.79 111.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.447 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.48 -167.59 2.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.813 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 191' ' ' VAL . 3.7 p -165.73 115.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.501 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . 0.69 ' CD1' ' N ' ' A' ' 192' ' ' LEU . 3.2 mp -85.57 157.82 20.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.594 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . 0.429 ' CB ' ' HB3' ' A' ' 174' ' ' ARG . 27.8 mttt -150.36 147.86 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.757 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . . . . . . . . . 5.7 mt -149.49 134.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.242 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.662 HE21 HE21 ' A' ' 205' ' ' GLN . 57.0 tt0 -142.33 130.24 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.969 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 70.6 t -132.67 136.61 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.157 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . 0.763 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 73.3 t60 -126.49 141.56 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.016 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 53.7 t80 -145.56 87.16 1.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 168' ' ' PHE . 1.6 t80 -100.06 87.77 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.802 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' GLU . . . . . 0.79 ' O ' ' CB ' ' A' ' 201' ' ' ASP . 60.7 tt0 -129.47 52.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.316 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . 0.79 ' CB ' ' O ' ' A' ' 200' ' ' GLU . 87.6 m-20 114.78 2.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.417 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.7 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . 0.476 ' ND2' ' C ' ' A' ' 203' ' ' ASN . 0.8 OUTLIER -172.84 99.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.636 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.0 129.19 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.526 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' GLN . . . . . 0.705 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 28.7 tt0 -136.77 154.15 50.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.707 HD12 ' OH ' ' A' ' 247' ' ' TYR . 4.7 tt -122.34 87.26 2.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.676 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . 0.486 ' CG2' ' OE1' ' A' ' 205' ' ' GLN . 11.2 t -90.14 122.27 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.35 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 22.9 t -149.59 147.2 27.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.768 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . 0.555 ' CE1' ' HG1' ' B' ' 486' ' ' THR . 6.5 p80 -157.81 145.1 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -135.44 129.06 32.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 110.926 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . 0.454 ' OD1' HG23 ' A' ' 191' ' ' VAL . 63.4 m-20 -103.62 129.83 50.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.215 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.9 tt -127.13 154.86 37.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.923 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -150.18 102.61 3.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.366 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' ASP . . . . . 0.627 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 93.0 m-20 -118.8 166.05 13.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.718 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 1.029 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 94.8 p -117.82 103.35 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.457 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' VAL . . . . . 1.175 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 97.9 t -91.9 166.02 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.677 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . 1.039 ' HA ' ' O ' ' A' ' 185' ' ' THR . 0.0 OUTLIER -102.65 128.06 49.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.618 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 1.06 HG23 ' HB2' ' A' ' 186' ' ' ALA . 83.2 t -85.99 137.51 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.615 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 41.1 t -131.08 -99.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.52 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.3 t -100.23 -163.11 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.557 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -86.8 -62.64 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 97.1 t -70.08 -24.75 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -73.91 -56.77 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.551 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 96.4 m -54.66 -36.84 65.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' ALA . . . . . . . . . . . . . . . -57.64 -57.09 14.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -57.06 -30.56 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.383 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -67.6 -38.77 84.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.434 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 179' ' ' PHE . 10.6 t80 -67.72 -53.95 23.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.409 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' ILE . . . . . 0.647 ' O ' HG12 ' A' ' 232' ' ' ILE . 1.7 mp -52.11 -27.35 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.409 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -74.85 -36.69 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.362 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' ILE . . . . . 0.469 HG13 HG21 ' A' ' 216' ' ' VAL . 32.2 mm -67.55 -41.19 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.442 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' ILE . . . . . 0.647 HG12 ' O ' ' A' ' 229' ' ' ILE . 7.7 pt -70.14 -44.46 78.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.377 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' A' ' 236' ' ' GLU . 81.7 tt0 -57.05 -47.03 81.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.466 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -69.62 -43.88 71.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.472 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.14 -51.92 61.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.428 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 233' ' ' GLU . 1.1 pp20? -60.25 -44.12 95.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.404 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' ASN . . . . . 0.578 ' ND2' ' OE2' ' A' ' 236' ' ' GLU . 9.7 m120 -60.07 -40.14 88.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.427 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -69.83 -34.33 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.476 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . 0.446 ' CZ ' HD11 ' A' ' 243' ' ' ILE . 45.0 t80 -68.5 -44.37 74.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.51 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 240' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -68.22 -39.0 82.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 20.0 m -61.38 -45.79 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.65 71.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.54 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . 0.446 HD11 ' CZ ' ' A' ' 239' ' ' TYR . 40.9 mt -69.19 -47.55 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.477 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.2 p -60.67 -34.2 73.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -66.95 -42.9 84.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.531 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . 0.42 ' O ' ' SD ' ' A' ' 250' ' ' MET . 98.3 m-20 -62.12 -34.62 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.512 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 247' ' ' TYR . . . . . 0.707 ' OH ' HD12 ' A' ' 206' ' ' LEU . 0.5 OUTLIER -64.92 -31.87 73.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -73.25 -50.87 19.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.52 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' A' ' 253' ' ' THR . 24.3 m -64.79 -34.84 79.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.548 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 246' ' ' ASN . 31.2 mtp -72.83 -14.56 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.494 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 2.0 p -112.95 -10.09 13.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.627 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 252' ' ' ASP . . . . . 0.696 ' O ' ' OG1' ' A' ' 253' ' ' THR . 67.3 t0 -132.12 47.76 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.567 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 253' ' ' THR . . . . . 0.696 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 17.5 m 175.76 -79.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 257' ' ' ALA . 12.1 m -53.49 -61.22 2.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.602 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -47.68 -57.47 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -64.27 -11.71 34.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.24 -18.27 30.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.567 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.0 mt -77.98 -91.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 259' ' ' ARG . . . . . 0.464 ' HD2' ' CH2' ' B' ' 448' ' ' TRP . 16.5 ptm180 -98.58 174.44 6.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.464 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 260' ' ' ARG . . . . . 0.566 ' NH1' ' OE1' ' C' ' 633' ' ' GLU . 27.0 mmt180 -109.16 153.19 24.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.609 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . 0.4 ' O ' HD12 ' A' ' 262' ' ' LEU . 10.9 pt20 -83.69 -11.28 57.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 261' ' ' GLN . 0.2 OUTLIER -163.58 133.26 3.12 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.525 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 263' ' ' PRO . . . . . 0.719 ' HD3' ' CZ ' ' B' ' 411' ' ' TYR . 71.1 Cg_exo -43.99 135.36 7.95 Favored 'Trans proline' 0 C--N 1.304 -1.815 0 C-N-CA 122.934 2.423 . . . . 0.0 112.059 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 264' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 265' ' ' THR . 6.3 m -37.72 -38.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 265' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 267' ' ' THR . 67.1 p -64.25 -5.39 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.592 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 63.3 ttt180 54.06 55.61 8.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.547 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 267' ' ' THR . . . . . 0.637 ' O ' ' C ' ' A' ' 268' ' ' LYS . 3.7 t 173.26 114.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.433 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.637 ' C ' ' O ' ' A' ' 267' ' ' THR . 99.3 mttt -16.76 131.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 269' ' ' ILE . . . . . 0.421 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 10.8 tt -50.25 158.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.503 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.796 ' O ' ' N ' ' A' ' 273' ' ' LYS . 0.4 OUTLIER -117.15 58.59 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.521 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 271' ' ' TRP . . . . . 0.603 ' O ' ' N ' ' A' ' 274' ' ' ILE . 83.0 m95 -21.45 -55.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 270' ' ' ASP . 27.8 t-20 -44.59 -25.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.626 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . 1.243 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 63.3 mttp -99.95 -7.68 24.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.653 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 274' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 274' ' ' ILE . 2.0 mp -103.22 -1.19 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.561 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . 0.729 ' O ' ' CB ' ' A' ' 276' ' ' SER . 78.3 mt -111.06 44.93 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.569 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . 1.296 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.6 m 141.93 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.616 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 1.243 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.4 t80 -31.01 43.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.655 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 278' ' ' LYS . . . . . 1.296 ' N ' ' O ' ' A' ' 276' ' ' SER . 88.7 tttt -107.7 80.95 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.58 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 1.07 ' O ' ' O ' ' A' ' 280' ' ' GLY . 1.8 pt 54.23 3.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.545 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 1.07 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.61 -135.12 0.0 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.48 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 302' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 10.7 t . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -42.72 -51.22 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -55.34 -34.15 63.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.474 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' B' ' 302' ' ' SER . 95.7 mt-30 -60.71 -49.13 78.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.23 -40.62 77.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.411 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.93 -40.84 95.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.35 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 308' ' ' CYS . . . . . . . . . . . . . 98.2 m -68.08 -37.11 80.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.425 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.715 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.24 -42.2 96.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.296 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.31 -38.4 84.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.365 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.31 -33.69 74.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.379 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 64.0 tp -68.75 -43.76 75.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.377 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 69.4 mmm -64.39 -25.55 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.397 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -82.3 -12.4 58.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.398 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 315' ' ' ARG . . . . . 0.617 HH11 ' HG2' ' B' ' 315' ' ' ARG . 5.7 mmt-85 -100.08 -46.84 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.522 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.63 147.75 95.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.612 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 317' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.69 128.4 21.14 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.827 2.352 . . . . 0.0 112.022 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 318' ' ' PRO . . . . . 0.426 ' HA ' HG13 ' B' ' 321' ' ' ILE . 42.2 Cg_endo -71.41 -4.1 14.31 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.88 2.387 . . . . 0.0 112.097 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . 0.414 HE22 ' HB ' ' A' ' 207' ' ' VAL . 75.5 mt-30 -80.49 -17.89 50.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.535 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -123.88 39.49 3.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.596 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 321' ' ' ILE . . . . . 0.426 HG13 ' HA ' ' B' ' 318' ' ' PRO . 81.9 mt -63.43 -40.84 90.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.67 -60.83 3.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.574 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -54.6 -54.45 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.49 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -54.61 -55.78 25.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.502 ' CD2' ' NE2' ' B' ' 345' ' ' GLN . 41.3 tp -47.18 -48.96 23.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.409 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.2 t -57.12 -49.63 75.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.394 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -62.38 -40.77 97.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' LEU . . . . . 0.715 HD21 ' HB1' ' B' ' 309' ' ' ALA . 60.8 tp -55.5 -41.03 72.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.511 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.47 -41.19 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -57.79 -37.9 74.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.448 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.2 mt -71.24 -29.09 64.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.389 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.53 84.59 9.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.452 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -68.12 -5.56 15.08 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.733 2.289 . . . . 0.0 112.059 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 70.8 m -89.36 -6.44 56.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.578 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.465 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 75.3 mt -119.03 20.89 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.614 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' CYS . . . . . 0.596 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 28.2 p -64.06 -55.95 18.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.596 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 80.7 tt0 -60.34 -50.47 73.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -58.66 -36.21 73.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.543 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . 0.465 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 76.2 mt -79.07 -28.61 43.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' LEU . . . . . 0.637 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 35.0 mt -81.49 12.42 3.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.6 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 57.0 p -144.13 -3.64 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 50.9 p -119.37 -15.55 9.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.556 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 90.0 t -105.85 120.08 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -87.84 128.66 35.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.502 ' NE2' ' CD2' ' B' ' 325' ' ' LEU . 0.4 OUTLIER -129.34 165.91 29.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.562 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -44.4 125.25 5.8 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.869 2.379 . . . . 0.0 112.101 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' B' ' 347' ' ' LEU . 91.6 mt -66.71 122.49 17.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.675 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -88.65 148.84 23.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.6 tt -102.98 136.39 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.702 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' ALA . . . . . 0.809 ' HB2' HD11 ' B' ' 361' ' ' LEU . . . -123.66 157.67 33.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.466 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -114.37 143.35 45.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.577 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.955 ' O ' ' N ' ' B' ' 356' ' ' GLY . 29.2 t0 -111.9 81.45 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 63.7 mttp -37.27 -63.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.594 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 354' ' ' VAL . 0.1 OUTLIER -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 8.8 t -92.97 -25.48 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.626 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.955 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.18 24.72 70.53 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.469 ' O ' ' N ' ' B' ' 352' ' ' ASP . 69.8 mmtt -115.1 154.84 28.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 0.0 110.608 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' ASP . . . . . 0.717 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 95.6 m-20 -94.75 143.08 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.618 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.702 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 47.5 p90 -139.68 135.72 33.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.15 156.66 38.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.579 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . 0.809 HD11 ' HB2' ' B' ' 350' ' ' ALA . 5.4 mp -108.58 158.53 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.526 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 362' ' ' CYS . . . . . . . . . . . . . 21.4 p -168.2 168.68 11.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.589 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 363' ' ' ASP . . . . . 0.637 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 6.0 p-10 -75.49 -10.33 59.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 364' ' ' TYR . . . . . 0.574 ' CG ' HG21 ' B' ' 431' ' ' VAL . 90.0 m-85 -88.39 -18.18 28.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.443 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 365' ' ' ASN . . . . . 0.533 ' HB3' ' CD2' ' B' ' 420' ' ' TYR . 5.4 p-10 -123.19 24.71 8.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.582 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 366' ' ' ARG . . . . . 0.502 HH12 HD22 ' B' ' 340' ' ' LEU . 21.1 ttm180 -119.9 129.85 54.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.556 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -122.16 99.48 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.1 -98.83 1.76 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' B' ' 369' ' ' ASP . 54.6 t0 -126.2 8.67 7.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.592 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 370' ' ' SER . . . . . 1.045 ' HB2' ' HD2' ' B' ' 381' ' ' PRO . 16.0 p -122.37 161.36 23.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 371' ' ' TYR . . . . . 1.113 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 55.5 m-85 -118.34 150.8 38.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . 0.613 ' HB2' ' CZ ' ' B' ' 379' ' ' TYR . 1.8 ttt180 -98.75 124.72 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.655 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 373' ' ' SER . . . . . 0.591 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 62.8 p -79.6 133.78 58.8 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 374' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' B' ' 373' ' ' SER . 2.2 Cg_endo -75.93 -14.73 19.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.799 2.332 . . . . 0.0 112.208 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -85.9 -66.29 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.569 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 78.1 p -83.14 -18.59 38.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 377' ' ' ASN . . . . . 0.591 ' HA ' ' O ' ' B' ' 373' ' ' SER . 5.3 m120 70.24 40.78 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.566 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -141.52 137.88 32.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.629 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 379' ' ' TYR . . . . . 1.113 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 31.7 m-85 -65.75 140.42 58.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . 0.771 ' HB3' ' HD3' ' B' ' 381' ' ' PRO . 0.0 OUTLIER -51.98 -60.43 6.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.319 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 1.045 ' HD2' ' HB2' ' B' ' 370' ' ' SER . 31.9 Cg_exo -65.43 120.07 7.21 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.984 2.456 . . . . 0.0 112.277 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -41.58 79.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.99 2.46 . . . . 0.0 112.286 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.613 ' N ' ' O ' ' B' ' 381' ' ' PRO . 1.0 OUTLIER -84.48 177.54 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.535 179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -111.65 -72.14 0.73 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -117.02 65.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.535 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 386' ' ' GLY . . . . . 0.414 ' CA ' HD23 ' B' ' 383' ' ' LEU . . . -72.16 151.71 47.44 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 387' ' ' ALA . . . . . 0.514 ' O ' ' OH ' ' B' ' 379' ' ' TYR . . . -63.94 127.26 30.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.763 0.316 . . . . 0.0 110.6 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . 0.414 ' HB2' HH21 ' B' ' 394' ' ' ARG . 6.5 ptt? -132.27 148.62 70.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 389' ' ' PRO . . . . . 0.447 ' HG3' HH12 ' B' ' 372' ' ' ARG . 57.3 Cg_endo -73.01 150.78 49.16 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.769 2.313 . . . . 0.0 112.106 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 47.3 t -52.74 142.9 17.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.595 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.55 -43.82 5.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.54 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -67.86 -37.82 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.475 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.91 -42.44 69.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . 0.414 HH21 ' HB2' ' B' ' 388' ' ' MET . 44.4 ttm180 -55.32 -36.83 66.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.391 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -63.54 -46.57 85.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.4 -31.97 73.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -67.82 -38.0 82.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.377 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 75.8 t -65.04 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.73 -36.97 79.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.343 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.9 94.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.96 -38.98 93.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.373 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.15 -40.42 68.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.37 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.95 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.409 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 404' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -69.36 -29.23 66.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.41 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.456 ' CG ' HH21 ' B' ' 408' ' ' ARG . 64.0 t0 -54.67 -38.78 67.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.446 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -77.08 -32.87 57.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.349 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 407' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -69.76 -18.63 63.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.481 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 408' ' ' ARG . . . . . 0.575 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.86 -35.5 24.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.489 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 409' ' ' ASP . . . . . 0.45 ' OD1' ' NZ ' ' C' ' 604' ' ' LYS . 13.9 m-20 -85.18 -8.92 58.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.525 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 410' ' ' LEU . . . . . 0.671 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 44.9 mt -95.87 -17.89 20.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.53 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 411' ' ' TYR . . . . . 0.719 ' CZ ' ' HD3' ' A' ' 263' ' ' PRO . 0.2 OUTLIER -118.92 -38.05 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.539 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.556 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 9.7 m-85 -100.59 -25.96 13.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.521 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 413' ' ' GLU . . . . . 0.418 ' HA ' ' HZ1' ' C' ' 604' ' ' LYS . 96.7 mt-10 63.54 24.34 13.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' B' ' 408' ' ' ARG . . . 162.72 -154.44 25.4 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.41 -163.45 52.91 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' B' ' 435' ' ' LYS . 13.2 m -128.74 153.7 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 110.439 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 417' ' ' SER . . . . . 0.575 ' N ' HH12 ' B' ' 408' ' ' ARG . 92.7 p -143.59 148.52 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . 0.551 ' OG ' ' OH ' ' B' ' 420' ' ' TYR . 3.7 t -148.24 143.92 27.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 52.9 t -132.77 130.26 58.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.764 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.551 ' OH ' ' OG ' ' B' ' 418' ' ' SER . 0.8 OUTLIER -128.51 132.45 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.332 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . 0.406 HD23 ' HA3' ' B' ' 430' ' ' GLY . 9.1 mt -119.65 158.4 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.738 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -154.49 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.499 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 55.4 p-10 -43.03 159.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 424' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' B' ' 429' ' ' ALA . 56.5 mt -127.8 -147.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.609 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -87.36 -49.76 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.559 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 426' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -129.81 30.65 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.531 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.67 -135.66 2.57 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -170.71 154.15 4.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . 0.514 ' HB2' HD11 ' B' ' 424' ' ' LEU . . . -124.03 172.8 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.552 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.533 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.11 161.74 35.07 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 431' ' ' VAL . . . . . 0.574 HG21 ' CG ' ' B' ' 364' ' ' TYR . 83.1 t -130.09 126.38 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.82 0.343 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 432' ' ' ILE . . . . . 0.422 ' HB ' ' HB2' ' B' ' 452' ' ' HIS . 3.8 mp -103.36 113.66 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' B' ' 450' ' ' SER . 65.4 mt -102.87 143.19 32.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.607 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 434' ' ' ILE . . . . . 0.473 ' HB ' ' OG ' ' B' ' 450' ' ' SER . 6.9 mt -148.74 119.82 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.614 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 435' ' ' LYS . . . . . 0.475 ' HB3' ' CG2' ' B' ' 416' ' ' VAL . 46.8 tttp -122.51 127.49 49.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.625 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 436' ' ' LYS . . . . . 0.556 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.5 tptm -137.1 119.62 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.17 40.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.629 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.09 179.48 45.18 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -50.77 128.1 19.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.899 0.381 . . . . 0.0 110.548 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.65 9.73 76.08 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 90.3 p -110.32 -4.33 15.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.612 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . 0.672 ' HZ3' ' HG2' ' C' ' 678' ' ' GLU . 31.4 mmtt -89.14 153.85 20.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.553 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.91 -43.79 81.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.61 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 444' ' ' ILE . . . . . 0.642 HG23 ' OG1' ' B' ' 479' ' ' THR . 57.5 mt -95.12 135.96 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.721 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -105.78 154.71 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.41 24.52 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 5.2 t -149.46 130.67 14.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.819 0.342 . . . . 0.0 110.232 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 448' ' ' TRP . . . . . 0.54 ' CZ2' HG11 ' B' ' 473' ' ' VAL . 8.5 t-105 -114.79 116.18 28.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 449' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.44 127.18 54.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.286 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 450' ' ' SER . . . . . 0.473 ' OG ' ' HB ' ' B' ' 434' ' ' ILE . 1.4 m -115.9 122.76 46.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.902 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 87.0 mt -127.89 100.74 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.287 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 452' ' ' HIS . . . . . 0.513 ' O ' ' HA ' ' B' ' 431' ' ' VAL . 8.3 m80 -108.64 132.37 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.875 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 453' ' ' VAL . . . . . 0.42 HG22 HG22 ' B' ' 431' ' ' VAL . 26.3 t -128.67 95.66 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.268 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 454' ' ' VAL . . . . . 0.411 HG22 ' N ' ' B' ' 455' ' ' GLU . 9.4 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.975 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 455' ' ' GLU . . . . . 0.411 ' N ' HG22 ' B' ' 454' ' ' VAL . 98.5 mt-10 -131.83 102.15 5.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.311 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 456' ' ' VAL . . . . . 0.414 HG22 ' CE2' ' B' ' 467' ' ' TYR . 58.2 t -79.05 139.65 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.789 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -123.48 68.39 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.404 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 458' ' ' GLU . . . . . 0.523 ' OE2' ' NE2' ' B' ' 509' ' ' HIS . 80.5 mm-40 -40.29 146.38 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.644 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 459' ' ' LYS . . . . . 0.594 ' CG ' ' O ' ' B' ' 464' ' ' THR . 35.3 mmtm -109.33 141.91 41.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.564 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.2 p -48.97 -54.11 16.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.643 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 34.4 p -126.72 146.52 50.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 462' ' ' GLY . . . . . 0.528 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.7 48.15 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 463' ' ' ARG . . . . . 0.66 ' CG ' HH11 ' B' ' 463' ' ' ARG . 0.0 OUTLIER 59.15 -0.21 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 110.584 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.594 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.25 123.66 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.454 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 465' ' ' ALA . . . . . 0.489 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.75 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -92.91 126.54 38.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.333 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 467' ' ' TYR . . . . . 0.414 ' CE2' HG22 ' B' ' 456' ' ' VAL . 87.8 m-85 -103.17 139.46 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.968 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -135.85 86.14 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.191 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 469' ' ' LEU . . . . . 0.644 HD12 ' H ' ' B' ' 470' ' ' THR . 55.3 tp -82.14 157.53 24.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 470' ' ' THR . . . . . 0.644 ' H ' HD12 ' B' ' 469' ' ' LEU . 17.2 m -157.87 62.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.084 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . 0.498 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 25.4 p -64.62 174.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.09 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 472' ' ' THR . . . . . 0.49 HG23 ' OG1' ' B' ' 494' ' ' THR . 52.7 m -168.81 87.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.128 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 473' ' ' VAL . . . . . 0.54 HG11 ' CZ2' ' B' ' 448' ' ' TRP . 98.2 t -69.72 143.82 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 474' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 3.0 ttt -124.78 95.99 4.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.191 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 475' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' B' ' 532' ' ' TYR . 47.0 tp -86.68 131.17 34.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 476' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -125.26 130.26 51.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.258 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 7.3 mt -137.34 124.67 21.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.929 0.395 . . . . 0.0 110.747 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 478' ' ' GLN . . . . . 0.707 ' NE2' ' H ' ' B' ' 479' ' ' THR . 41.8 tp60 -138.17 158.08 45.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.472 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 479' ' ' THR . . . . . 0.707 ' H ' ' NE2' ' B' ' 478' ' ' GLN . 21.9 m -163.4 127.44 2.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.655 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 480' ' ' ASN . . . . . 0.453 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 99.2 m-20 -108.16 73.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 481' ' ' LYS . . . . . 0.881 ' O ' ' N ' ' B' ' 485' ' ' GLY . 63.8 tttp -107.64 146.65 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 64.4 p -57.25 -46.02 83.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.2 68.72 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . 0.451 ' O ' ' N ' ' B' ' 486' ' ' THR . 37.6 p -125.96 14.86 7.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 0.0 110.525 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 485' ' ' GLY . . . . . 0.881 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.43 0.01 OUTLIER Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 486' ' ' THR . . . . . 0.555 ' HG1' ' CE1' ' A' ' 209' ' ' HIS . 11.7 p -126.06 114.02 17.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.52 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 487' ' ' MET . . . . . 0.444 ' O ' ' OE1' ' B' ' 478' ' ' GLN . 27.2 ttt -125.12 118.06 25.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.551 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 488' ' ' ASN . . . . . 0.667 ' ND2' ' N ' ' B' ' 488' ' ' ASN . 0.0 OUTLIER -119.06 123.98 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.564 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 489' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 16.4 tp -131.68 76.74 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.38 -163.86 21.82 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 491' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.86 -142.65 11.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 492' ' ' SER . . . . . 0.559 ' HB2' ' O ' ' B' ' 491' ' ' GLY . 23.4 t 163.22 135.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.487 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 493' ' ' LEU . . . . . 0.551 HD22 ' C ' ' B' ' 492' ' ' SER . 4.4 mm? -110.57 149.44 30.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.646 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 494' ' ' THR . . . . . 0.49 ' OG1' HG23 ' B' ' 472' ' ' THR . 55.5 m -127.11 142.87 51.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.505 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 495' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' B' ' 494' ' ' THR . 13.6 mmt180 -149.96 128.74 12.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.65 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 496' ' ' GLN . . . . . 0.614 ' CD ' ' H ' ' B' ' 496' ' ' GLN . 1.0 OUTLIER -92.79 160.57 14.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.589 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 39.3 ttm -160.06 130.43 5.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.65 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 498' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -133.52 141.6 47.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -172.24 145.84 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.8 p-10 -91.29 125.19 35.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.52 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 501' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -120.67 160.17 23.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.62 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 52.2 m -94.3 131.86 39.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.612 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.57 122.4 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 87.4 p -143.02 -177.27 5.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.583 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -68.88 -35.88 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.0 p -83.68 -19.75 34.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.538 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 39.9 t -135.56 73.43 62.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.585 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 508' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' B' ' 511' ' ' ALA . 8.1 Cg_exo -72.61 -172.59 0.96 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.765 2.31 . . . . 0.0 112.166 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 509' ' ' HIS . . . . . 0.523 ' NE2' ' OE2' ' B' ' 458' ' ' GLU . 57.0 m80 -58.69 -62.8 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.503 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 510' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.65 -49.1 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 511' ' ' ALA . . . . . 0.468 ' HB2' ' HD2' ' B' ' 508' ' ' PRO . . . -54.97 -49.23 71.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.633 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 512' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -62.98 -48.21 79.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 513' ' ' ILE . . . . . 0.41 ' O ' HG23 ' B' ' 517' ' ' VAL . 68.7 mt -61.03 -33.6 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 514' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.61 74.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -57.33 -44.33 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.714 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.23 -52.52 61.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.563 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 517' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' B' ' 452' ' ' HIS . 74.1 t -55.43 -47.21 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.89 -51.69 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.769 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 519' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 66.6 t0 -63.54 -37.48 87.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.762 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 33.1 tpp -64.43 -49.37 71.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.706 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 521' ' ' GLU . . . . . 0.406 ' HB3' HH12 ' A' ' 259' ' ' ARG . 94.3 mt-10 -62.59 -45.29 93.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.714 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 522' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' B' ' 525' ' ' ARG . 23.3 t-20 -56.89 -41.46 78.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -70.59 -38.49 74.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.776 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 524' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' B' ' 524' ' ' ILE . 27.4 mm -74.44 -24.35 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 525' ' ' ARG . . . . . 0.649 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.68 -27.66 66.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.701 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 526' ' ' SER . . . . . 0.534 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 30.1 t -85.04 -38.71 18.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.713 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 61.8 p -66.07 -35.76 81.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.674 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.659 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 4.1 mp -64.97 -42.38 94.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.633 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -68.56 -31.3 70.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.642 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . 0.963 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.7 mt-10 -74.32 -54.45 7.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.652 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.48 -61.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.534 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 532' ' ' TYR . . . . . 0.659 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 20.9 m-85 -50.29 -86.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.591 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 533' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.79 40.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.574 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . 0.963 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.1 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' B' ' 536' ' ' THR . 17.8 mtpt -56.91 -68.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.514 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.642 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 42.4 p -34.72 -58.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.597 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.34 -53.32 29.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -53.16 -44.91 68.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.577 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 539' ' ' ILE . . . . . 0.598 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 36.0 mm -61.8 -36.03 71.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.606 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.44 -42.0 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.78 -17.1 63.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.5 -27.32 48.12 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.461 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 96.4 mt -68.11 -51.46 46.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.736 0.303 . . . . 0.0 110.405 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 544' ' ' ARG . . . . . 0.545 ' NH1' ' CZ3' ' A' ' 173' ' ' TRP . 32.9 ptt180 -141.79 170.09 16.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.656 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 545' ' ' SER . . . . . . . . . . . . . 35.5 t -142.17 137.88 31.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 546' ' ' ILE . . . . . 0.518 HG23 ' N ' ' B' ' 547' ' ' ASP . 13.5 tt -69.1 -43.51 81.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 547' ' ' ASP . . . . . 0.518 ' N ' HG23 ' B' ' 546' ' ' ILE . 83.8 m-20 -82.9 138.61 33.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.625 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 548' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.48 122.08 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 551' ' ' ASP . 80.5 mt -79.49 112.78 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.56 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 550' ' ' PRO . . . . . 0.567 ' O ' ' O ' ' B' ' 551' ' ' ASP . 72.5 Cg_exo -46.66 80.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.876 2.384 . . . . 0.0 112.081 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.567 ' O ' ' O ' ' B' ' 550' ' ' PRO . 50.1 p-10 -25.32 145.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.635 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 552' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -129.86 116.16 18.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.578 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -85.27 -24.78 27.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' B' ' 558' ' ' LEU . 5.5 ttpm? -52.54 -64.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.617 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 555' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -45.24 -56.64 4.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.654 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -57.59 -46.94 83.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.706 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 557' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' B' ' 557' ' ' GLN . 15.6 tm0? -65.84 -29.62 70.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' B' ' 554' ' ' LYS . 57.2 tp -77.78 -30.4 51.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.55 -36.32 65.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.689 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -58.24 -40.54 82.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.74 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 561' ' ' GLU . . . . . 0.585 ' O ' HG23 ' B' ' 565' ' ' VAL . 73.1 mm-40 -67.83 -61.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.706 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.878 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 49.3 tp -49.09 -40.71 33.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.641 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 563' ' ' SER . . . . . 0.793 ' O ' ' N ' ' B' ' 565' ' ' VAL . 63.7 m -61.19 -76.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.761 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . 0.452 ' OE1' ' O ' ' B' ' 564' ' ' GLN . 1.3 tm0? -36.71 -13.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.724 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.878 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 24.1 t -72.07 -42.68 67.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' B' ' 563' ' ' SER . 43.1 mt -81.46 -35.57 30.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.1 p -70.3 -19.62 63.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.538 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -117.55 6.66 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.674 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.793 ' O ' ' HB3' ' B' ' 570' ' ' GLN . 0.0 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.859 ' O ' ' HB ' ' B' ' 571' ' ' ILE . 8.6 pt20 139.73 128.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.682 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 571' ' ' ILE . . . . . 0.859 ' HB ' ' O ' ' B' ' 570' ' ' GLN . 57.1 mt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.491 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 601' ' ' MET . . . . . 0.506 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.2 m 62.15 5.96 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.515 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -49.81 -37.84 32.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.538 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 604' ' ' LYS . . . . . 0.45 ' NZ ' ' OD1' ' B' ' 409' ' ' ASP . 57.6 mttt -69.64 -52.22 27.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.558 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -55.1 -28.91 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.534 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -75.67 -53.64 8.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 607' ' ' MET . . . . . . . . . . . . . 38.4 ttp -72.87 -36.74 67.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.524 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 608' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -56.81 -16.0 5.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 609' ' ' ALA . . . . . 0.422 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.47 -50.61 13.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.631 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 610' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.3 2.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.575 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 611' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' C' ' 609' ' ' ALA . 63.5 tttp -102.06 -66.75 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -70.35 -4.31 21.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.642 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 613' ' ' GLY . . . . . 0.583 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.03 21.93 58.31 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 614' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' C' ' 617' ' ' GLU . 11.1 t0 -63.93 49.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.512 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 615' ' ' LEU . . . . . 0.944 ' O ' HD13 ' C' ' 615' ' ' LEU . 2.6 tm? -44.98 -17.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 616' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.7 m-20 -77.74 -27.52 50.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.527 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 617' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' C' ' 614' ' ' ASP . 53.1 tp10 -81.49 -49.86 10.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.579 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 618' ' ' VAL . . . . . 0.505 ' CG1' HD22 ' C' ' 615' ' ' LEU . 12.0 p -62.9 -28.3 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.596 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 619' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 63.5 tttm -66.29 -21.83 66.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.512 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 620' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.0 t0 -75.34 -45.4 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.636 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -60.94 -59.22 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 83.3 t -57.71 -27.88 31.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 623' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.67 -16.79 6.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.603 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.625 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 625' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.91 82.36 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 626' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' C' ' 625' ' ' GLY . 6.5 pt-20 34.26 95.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.562 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 627' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' C' ' 626' ' ' GLU . 89.2 m-20 -140.98 62.69 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.651 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 628' ' ' VAL . . . . . 0.656 HG11 ' O ' ' C' ' 654' ' ' LEU . 41.3 t -121.93 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 50.0 p30 -173.02 5.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.668 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 630' ' ' ARG . . . . . 0.429 ' HG2' HH11 ' C' ' 630' ' ' ARG . 79.8 mtt-85 -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.05 87.66 6.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.635 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 46.5 tp -31.35 -88.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.566 ' OE1' ' NH1' ' A' ' 260' ' ' ARG . 75.1 tt0 -71.71 -76.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 634' ' ' GLY . . . . . . . . . . . . . . . -153.66 -11.34 0.07 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 635' ' ' GLY . . . . . 0.527 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.44 22.74 0.18 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 636' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -127.93 164.91 21.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 637' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' C' ' 639' ' ' LEU . 3.4 pttt -108.41 156.99 37.65 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.607 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 638' ' ' PRO . . . . . 0.503 ' O ' HD22 ' C' ' 654' ' ' LEU . 56.7 Cg_endo -73.68 25.07 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.83 2.354 . . . . 0.0 112.093 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 639' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' C' ' 637' ' ' LYS . 6.3 mp -117.78 -16.29 10.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.549 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 640' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -75.23 -43.86 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -71.73 -36.01 70.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.443 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 642' ' ' ALA . . . . . 0.674 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.89 -44.97 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -69.0 -48.47 63.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 644' ' ' ASP . . . . . 0.584 ' OD2' ' NZ ' ' B' ' 442' ' ' LYS . 16.7 t0 -60.63 -35.69 76.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.507 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 645' ' ' CYS . . . . . . . . . . . . . 21.8 p -160.89 65.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.618 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 646' ' ' GLY . . . . . 0.674 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -118.99 34.09 4.47 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 647' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 85.1 mt-30 51.74 4.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.493 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 648' ' ' LEU . . . . . 0.878 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.57 7.01 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.565 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.8 -12.58 11.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 650' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.57 -36.12 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.618 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 1.125 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.31 -52.95 61.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.529 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 652' ' ' GLU . . . . . 0.859 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 44.4 tt0 -56.22 -22.58 30.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.505 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 653' ' ' PHE . . . . . 0.979 ' O ' ' N ' ' C' ' 655' ' ' LEU . 85.3 t80 -75.84 -97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.575 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 654' ' ' LEU . . . . . 0.656 ' O ' HG11 ' C' ' 628' ' ' VAL . 0.6 OUTLIER -41.41 6.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 655' ' ' LEU . . . . . 0.979 ' N ' ' O ' ' C' ' 653' ' ' PHE . 65.8 tp -102.91 -47.87 4.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.564 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.31 -25.41 64.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -72.75 -90.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.537 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 658' ' ' GLY . . . . . 0.592 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.33 -109.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 659' ' ' ALA . . . . . 0.697 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.03 33.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.565 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 660' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' C' ' 662' ' ' ASN . 70.2 m-20 -57.4 10.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 661' ' ' ILE . . . . . 0.697 ' H ' ' C ' ' C' ' 659' ' ' ALA . 2.3 tt -66.04 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 662' ' ' ASN . . . . . 1.096 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 10.7 t-20 -163.68 -18.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 663' ' ' ALA . . . . . 0.76 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.12 -33.61 0.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 664' ' ' PRO . . . . . 1.096 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 58.9 Cg_exo -47.0 120.82 4.49 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.882 2.388 . . . . 0.0 112.104 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 665' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.6 p-10 -125.88 -50.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 666' ' ' LYS . . . . . 0.422 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 43.7 mmtm -78.76 -16.19 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.584 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 667' ' ' HIS . . . . . 0.527 ' NE2' ' O ' ' C' ' 635' ' ' GLY . 37.8 m80 -80.45 -6.32 57.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.551 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 40.52 37.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.596 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 669' ' ' ILE . . . . . 0.485 HG22 ' O ' ' C' ' 667' ' ' HIS . 15.7 tt -176.84 147.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 670' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' C' ' 671' ' ' PRO . 0.2 OUTLIER -96.23 168.72 10.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 671' ' ' PRO . . . . . 0.461 ' O ' ' OG ' ' C' ' 674' ' ' SER . 52.2 Cg_endo -72.53 -30.49 12.16 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.822 2.348 . . . . 0.0 112.105 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 10.2 tp -45.37 -49.03 13.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 673' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' C' ' 703' ' ' THR . 14.3 mt -67.88 -27.81 66.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 674' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 18.3 p -51.8 -40.87 61.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.534 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 675' ' ' ALA . . . . . 0.407 ' HB3' ' CG1' ' C' ' 684' ' ' VAL . . . -74.57 -29.97 61.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.597 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 676' ' ' VAL . . . . . 0.648 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 4.0 t -47.18 -66.32 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 677' ' ' TYR . . . . . 0.482 ' N ' HG12 ' C' ' 676' ' ' VAL . 1.5 t80 -77.81 39.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.64 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 678' ' ' GLU . . . . . 0.672 ' HG2' ' HZ3' ' B' ' 442' ' ' LYS . 0.0 OUTLIER -124.47 -28.67 3.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.3 72.46 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 680' ' ' HIS . . . . . 0.897 ' O ' ' N ' ' C' ' 682' ' ' SER . 6.5 m80 -72.0 -53.47 12.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.598 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 681' ' ' VAL . . . . . 0.753 ' O ' HG22 ' C' ' 684' ' ' VAL . 9.4 m 43.27 -5.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.627 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 682' ' ' SER . . . . . 0.897 ' N ' ' O ' ' C' ' 680' ' ' HIS . 2.2 m -67.45 -24.3 65.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.535 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 683' ' ' CYS . . . . . 0.654 ' SG ' ' N ' ' C' ' 684' ' ' VAL . 15.0 p -90.92 -48.68 6.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 684' ' ' VAL . . . . . 0.753 HG22 ' O ' ' C' ' 681' ' ' VAL . 2.9 m -41.89 -34.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.583 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 685' ' ' LYS . . . . . 0.496 ' C ' ' H ' ' C' ' 687' ' ' LEU . 98.7 mttt -62.52 -73.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.94 1.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.53 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 687' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' C' ' 685' ' ' LYS . 8.2 tp -81.95 -70.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.535 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 688' ' ' LEU . . . . . 0.426 ' N ' HD12 ' C' ' 688' ' ' LEU . 10.9 mp -45.64 -21.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.538 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 689' ' ' SER . . . . . 0.41 ' N ' ' C ' ' C' ' 687' ' ' LEU . 14.7 m -55.73 -21.52 19.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -99.64 -6.31 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 691' ' ' GLY . . . . . 1.095 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.71 -74.9 0.42 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 692' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.19 18.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.579 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 693' ' ' ASP . . . . . 1.095 ' N ' ' O ' ' C' ' 691' ' ' GLY . 0.5 OUTLIER 33.14 -128.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.609 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 694' ' ' LYS . . . . . 0.5 ' HG3' HG22 ' C' ' 695' ' ' THR . 61.8 pttt -152.49 -23.69 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.596 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 695' ' ' THR . . . . . 0.687 ' O ' HG23 ' C' ' 695' ' ' THR . 9.3 t -156.49 73.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.558 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 696' ' ' VAL . . . . . 0.429 HG22 ' OD2' ' C' ' 693' ' ' ASP . 4.9 t -93.45 -29.63 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 17.9 tptt -140.16 23.55 2.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.651 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.72 142.75 20.3 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 699' ' ' PRO . . . . . 0.641 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 76.3 Cg_exo -44.77 -27.73 2.54 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.817 2.345 . . . . 0.0 112.162 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 700' ' ' ASP . . . . . 0.641 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 36.2 t0 157.7 -112.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 701' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.83 0.42 89.14 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 702' ' ' LEU . . . . . 0.647 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.8 tt -53.85 -66.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 0.0 110.577 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 703' ' ' THR . . . . . 0.884 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 0.0 OUTLIER 16.16 -95.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 704' ' ' ALA . . . . . 0.525 ' N ' ' OG1' ' C' ' 703' ' ' THR . . . -106.61 -18.66 13.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.521 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 705' ' ' LEU . . . . . 0.56 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 1.6 tt -62.87 -75.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.603 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -80.76 15.22 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.497 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . 0.884 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.4 -70.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.544 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 708' ' ' THR . . . . . 0.575 HG22 ' H ' ' C' ' 709' ' ' ASP . 1.3 m -139.76 -142.76 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.616 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 709' ' ' ASP . . . . . 0.575 ' H ' HG22 ' C' ' 708' ' ' THR . 52.8 p30 -148.78 -4.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -72.56 151.84 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -71.56 -20.52 62.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.527 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.3 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 713' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -37.72 73.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.531 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -52.01 -29.94 23.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.552 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 716' ' ' LEU . . . . . 1.072 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.5 OUTLIER -161.06 98.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 717' ' ' LEU . . . . . 1.072 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.5 mm? 124.11 -176.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.595 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 718' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' C' ' 717' ' ' LEU . 34.6 tt0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.595 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.741 HG13 ' O ' ' A' ' 8' ' ' VAL . 11.2 p -54.08 94.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.759 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.1 t -45.98 163.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.602 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.94 -33.56 76.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.49 -39.32 87.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' HG2' HH21 ' A' ' 15' ' ' ARG . 95.2 mt-10 -67.55 -40.97 84.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -63.77 -35.89 82.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.3 t -65.19 -43.78 95.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.416 HH21 ' HG2' ' A' ' 12' ' ' GLU . 74.4 mtm180 -61.6 -39.66 92.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.719 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.445 HD12 ' CG ' ' B' ' 327' ' ' ASP . 38.2 mm -65.47 -47.33 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.495 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.9 -34.86 75.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.551 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.58 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 88.6 tttt -65.91 -41.37 91.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.505 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -65.14 -44.89 87.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.609 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.62 -46.52 85.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.568 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -76.02 8.48 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.618 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -123.74 15.35 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.561 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.45 146.93 81.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.544 ' HG2' ' HB2' ' A' ' 28' ' ' GLU . 17.6 Cg_endo -68.16 167.52 21.71 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.806 2.338 . . . . 0.0 112.054 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.552 ' O ' ' ND2' ' A' ' 170' ' ' ASN . 47.8 Cg_endo -70.91 116.16 4.56 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.755 2.303 . . . . 0.0 112.175 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' C ' ' OE1' ' A' ' 28' ' ' GLU . . . 91.12 21.57 35.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.544 ' HB2' ' HG2' ' A' ' 25' ' ' PRO . 47.8 mp0 -149.34 37.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.803 0.335 . . . . 0.0 110.523 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CD2' ' N ' ' A' ' 30' ' ' ASN . 51.7 p90 -73.94 -48.86 27.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.619 ' N ' ' CD2' ' A' ' 29' ' ' PHE . 42.0 t30 -57.05 -57.32 13.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.631 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.563 ' CD ' HH21 ' B' ' 315' ' ' ARG . 99.0 mt-10 -44.54 -54.4 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.542 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.83 -42.48 92.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CZ ' HD21 ' A' ' 46' ' ' LEU . 39.4 t80 -59.24 -50.81 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.629 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -60.11 -37.89 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.1 -42.07 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.04 -41.88 87.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.564 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -56.32 -54.79 41.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.629 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.404 HD22 ' SG ' ' B' ' 308' ' ' CYS . 9.8 mp -59.34 -34.76 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.565 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 mt -73.2 -49.72 26.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.681 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD12 HD22 ' B' ' 331' ' ' LEU . 13.4 tp -61.75 -32.63 72.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.554 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 42' ' ' ASN . 65.0 t30 46.61 49.69 13.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.53 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 41' ' ' ASN . 70.6 m-20 -168.6 79.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -51.89 -37.88 54.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.615 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -54.14 -44.17 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.583 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 45' ' ' LEU . 9.1 mp -77.31 -30.87 54.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 33' ' ' PHE . 40.1 tp -62.74 -38.68 91.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.608 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -66.25 -35.47 80.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -41.06 -59.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.565 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -116.92 48.67 0.92 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 46' ' ' LEU . . . -87.09 -56.83 3.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 110.607 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.54 87.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.538 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -54.29 -37.05 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.576 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.44 -54.4 12.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' HB3' ' CB ' ' A' ' 100' ' ' HIS . 33.1 m-85 -46.55 -56.62 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 56' ' ' GLN . . . -52.56 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.58 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 55' ' ' ALA . 67.4 tp60 -33.61 -45.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.567 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -60.02 -72.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.608 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -46.97 -30.94 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.692 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -68.88 -66.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.613 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.692 ' N ' ' HG3' ' A' ' 59' ' ' MET . 53.9 t0 -67.94 10.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.562 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 63' ' ' THR . 1.3 tm0? -124.5 24.76 7.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.618 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' C ' ' O ' ' A' ' 61' ' ' GLN . 51.7 m-85 23.9 44.79 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.488 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.596 ' N ' ' O ' ' A' ' 61' ' ' GLN . 23.0 m -58.78 111.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.631 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -75.68 115.17 4.12 Favored 'Trans proline' 0 C--N 1.304 -1.816 0 C-N-CA 122.943 2.429 . . . . 0.0 112.212 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.626 HG22 ' N ' ' A' ' 66' ' ' LYS . 12.5 p -109.38 165.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.626 ' N ' HG22 ' A' ' 65' ' ' VAL . 13.0 ptpt -125.19 103.99 8.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.591 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.661 ' O ' ' C ' ' A' ' 68' ' ' GLU . 43.9 mt -51.56 148.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.627 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.661 ' C ' ' O ' ' A' ' 67' ' ' ILE . 78.1 tt0 -13.24 -78.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.519 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -142.37 75.08 0.33 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.797 ' O ' ' N ' ' A' ' 72' ' ' ASP . 67.1 m-85 -137.41 14.73 2.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.62 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.619 ' C ' ' O ' ' A' ' 70' ' ' TYR . 13.8 p-10 20.17 39.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 1.068 ' O ' ' N ' ' A' ' 74' ' ' VAL . 55.2 t0 -98.76 19.37 14.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.56 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.705 ' C ' ' O ' ' A' ' 72' ' ' ASP . 12.6 mm100 -0.24 50.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.068 ' N ' ' O ' ' A' ' 72' ' ' ASP . 12.8 p -63.98 173.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.727 ' N ' HG22 ' A' ' 74' ' ' VAL . 42.5 mt -113.33 152.28 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.511 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.0 mt -104.04 105.46 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.591 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.57 ' HA ' ' SD ' ' A' ' 59' ' ' MET . 4.9 p -130.12 -176.97 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.612 ' N ' ' SD ' ' A' ' 59' ' ' MET . 14.3 tm-20 -78.72 -31.33 46.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.629 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 144' ' ' TYR . 32.7 m-70 -63.89 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 87' ' ' PHE . . . -104.2 15.67 50.55 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -85.45 100.02 11.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.318 . . . . 0.0 110.63 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 tp -49.6 -51.57 36.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.532 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 113.19 -0.69 25.35 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -116.16 1.31 13.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.742 0.306 . . . . 0.0 110.576 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 121.16 -15.76 9.35 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.639 ' CG ' HH11 ' A' ' 86' ' ' ARG . 0.0 OUTLIER -108.38 168.67 9.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.555 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 96' ' ' PHE . 54.0 m-85 -114.5 -170.61 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.484 ' CD1' ' OH ' ' A' ' 144' ' ' TYR . 80.3 mt -118.29 157.37 27.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.742 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.7 ' O ' ' HA ' ' A' ' 93' ' ' LYS . 33.6 t0 -139.3 89.04 12.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.434 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.503 ' CG ' ' O ' ' A' ' 143' ' ' VAL . 12.1 Cg_endo -61.03 -36.68 81.23 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.834 2.356 . . . . 0.0 112.005 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.705 HH22 ' NH2' ' A' ' 129' ' ' ARG . 64.8 mtp180 -59.49 -75.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -20.35 57.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.514 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.7 ' HA ' ' O ' ' A' ' 89' ' ' ASP . 67.9 mttm 62.72 62.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.513 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.553 ' H ' ' HB3' ' A' ' 89' ' ' ASP . 33.1 pt -146.48 154.46 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.619 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.817 ' O ' ' HA ' ' A' ' 108' ' ' PRO . 2.1 t -92.71 133.0 36.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.555 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 108' ' ' PRO . 31.1 p90 -140.08 136.67 33.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.697 ' O ' ' HB1' ' A' ' 105' ' ' ALA . 64.4 tttm -88.7 113.39 24.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.872 ' HA ' ' CB ' ' A' ' 105' ' ' ALA . 52.1 t80 -82.65 133.06 35.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.635 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 102' ' ' ARG . 5.0 m-20 -104.56 90.2 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -36.45 -67.22 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.623 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 45.5 tp -47.45 -81.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.576 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.522 ' O ' ' O ' ' A' ' 99' ' ' ASP . 9.5 tpp180 -52.85 156.31 2.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -88.85 2.29 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.418 ' O ' ' OD2' ' A' ' 99' ' ' ASP . 80.6 mm-40 -117.19 150.21 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.609 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.872 ' CB ' ' HA ' ' A' ' 98' ' ' PHE . . . -147.22 79.65 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 107' ' ' ASP . 71.4 m -95.52 -164.15 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.446 ' N ' ' CD ' ' A' ' 108' ' ' PRO . 0.5 OUTLIER 73.7 54.56 0.28 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.542 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.817 ' HA ' ' O ' ' A' ' 95' ' ' SER . 59.1 Cg_endo -73.5 -177.82 3.3 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.866 2.377 . . . . 0.0 112.046 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.811 ' N ' ' O ' ' A' ' 95' ' ' SER . 1.1 tt0 -160.11 124.57 2.11 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.49 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -47.16 130.99 17.39 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.854 2.369 . . . . 0.0 112.045 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -122.88 102.49 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.554 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 112' ' ' ASP . 51.2 p-10 -75.48 88.41 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.669 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 68.7 p -46.89 164.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -76.07 -30.1 58.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.549 ' H ' ' HD3' ' A' ' 118' ' ' LYS . 2.0 p 71.96 35.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.522 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.77 -59.89 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.525 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 117' ' ' LEU . 59.9 tp -104.14 3.31 32.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.551 ' H ' ' HD2' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -53.93 -41.93 68.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.521 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 118' ' ' LYS . 85.2 mt-30 -39.24 -55.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.555 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -62.57 -47.62 83.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.516 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.819 HH21 ' H ' ' A' ' 145' ' ' GLY . 23.8 ttm180 -53.88 -80.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.472 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.566 ' C ' ' O ' ' A' ' 121' ' ' ARG . 82.8 m-20 -25.41 -45.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.539 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 121' ' ' ARG . . . -64.94 -67.21 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.5 t -51.11 -48.57 61.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.465 ' HA ' ' CG2' ' A' ' 143' ' ' VAL . 64.1 t0 -40.42 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 129' ' ' ARG . 33.1 m -47.97 -46.21 32.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.434 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.31 -51.41 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.83 -12.27 60.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.497 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.705 ' NH2' HH22 ' A' ' 91' ' ' ARG . 22.1 tpt180 -66.33 -32.78 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -81.68 -39.22 24.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.495 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.46 ' HB2' ' CG2' ' A' ' 229' ' ' ILE . 45.8 t80 -54.76 -38.8 67.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.557 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.501 HG23 ' HB2' ' A' ' 136' ' ' TYR . 4.7 p -74.74 -40.55 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.44 ' O ' ' OD1' ' A' ' 134' ' ' ASP . 52.4 mmtt -76.12 25.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.609 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' B' ' 548' ' ' ALA . 81.2 m-20 -147.58 7.62 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.511 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.509 ' O ' ' HG2' ' B' ' 544' ' ' ARG . 68.3 m80 -151.05 -21.56 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.559 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.504 ' OH ' ' NE1' ' A' ' 173' ' ' TRP . 37.3 m-85 -114.68 106.45 52.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.594 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' B' ' 543' ' ' LEU . 50.2 Cg_exo -51.56 -57.2 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.767 2.312 . . . . 0.0 112.044 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -127.56 50.11 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.524 ' CA ' ' O ' ' A' ' 159' ' ' GLU . . . -108.88 163.62 12.62 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.622 ' HB2' HD21 ' A' ' 75' ' ' LEU . 67.7 m-85 -135.08 158.15 45.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.844 0.354 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 157' ' ' CYS . 3.5 p -129.55 162.29 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 78.2 m -161.4 97.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.573 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.503 ' O ' ' CG ' ' A' ' 90' ' ' PRO . 47.4 t -75.74 143.43 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.561 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' TYR . . . . . 0.524 ' CE2' ' HB2' ' A' ' 146' ' ' LYS . 11.1 t80 -120.24 124.28 45.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.819 ' H ' HH21 ' A' ' 121' ' ' ARG . . . -109.73 84.51 0.37 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.575 ' CG ' ' N ' ' A' ' 147' ' ' SER . 55.0 tttm -123.79 167.33 14.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.853 0.358 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' A' ' 146' ' ' LYS . 72.5 m -107.57 115.44 30.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.496 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.732 ' O ' ' CG ' ' A' ' 151' ' ' GLN . 20.9 mt -91.1 104.11 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.609 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 59.0 t0 46.61 54.23 9.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 86.83 -62.73 4.19 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . 0.732 ' CG ' ' O ' ' A' ' 148' ' ' ILE . 10.1 pt20 -53.84 129.83 35.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.799 0.333 . . . . 0.0 110.658 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLN . . . . . 1.053 ' O ' HG13 ' A' ' 181' ' ' ILE . 10.5 mt-30 -85.76 150.49 24.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.404 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 179' ' ' PHE . 2.7 t -155.27 146.18 22.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.678 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.492 HD13 HD21 ' A' ' 117' ' ' LEU . 10.3 mm -108.52 110.05 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.427 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 144' ' ' TYR . 2.9 mt -98.11 117.08 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.816 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' A' ' 143' ' ' VAL . . . -114.9 116.03 27.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.287 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 141' ' ' CYS . 57.1 m -106.04 135.43 47.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.77 137.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.199 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.544 ' CD ' ' N ' ' A' ' 160' ' ' SER . 15.6 tm-20 -131.39 151.92 51.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.991 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . 0.723 ' O ' ' N ' ' A' ' 173' ' ' TRP . 0.2 OUTLIER -170.9 121.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.222 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 172' ' ' ARG . 2.0 p80 -140.7 170.55 15.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.982 0.42 . . . . 0.0 110.925 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 161' ' ' HIS . 93.9 mm-40 -148.56 77.82 1.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.238 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -65.41 147.5 53.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.001 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.49 ' HB3' ' CE2' ' A' ' 169' ' ' TRP . 0.4 OUTLIER -167.96 66.07 0.73 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.295 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . 0.682 ' O ' ' N ' ' A' ' 167' ' ' ASN . 23.8 Cg_exo -60.73 -52.04 4.21 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.736 2.291 . . . . 0.0 112.165 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -43.9 -8.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . 0.682 ' N ' ' O ' ' A' ' 165' ' ' PRO . 58.2 t-20 -121.95 -10.43 8.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.54 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.829 ' O ' ' HB3' ' A' ' 169' ' ' TRP . 50.3 m-85 70.07 80.03 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.57 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' TRP . . . . . 0.829 ' HB3' ' O ' ' A' ' 168' ' ' PHE . 10.1 p-90 158.83 127.22 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.711 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 26' ' ' PRO . 1.6 p-10 -135.99 162.35 33.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.359 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.528 ' O ' ' HB2' ' A' ' 161' ' ' HIS . . . -148.88 163.11 29.05 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . 0.701 HH11 ' NE ' ' A' ' 174' ' ' ARG . 9.2 ttm180 -165.68 136.61 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 0.0 110.383 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' TRP . . . . . 0.841 ' CZ3' HD11 ' A' ' 194' ' ' ILE . 7.1 t-105 -107.55 138.92 42.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.701 ' NE ' HH11 ' A' ' 172' ' ' ARG . 73.2 mtm180 -125.31 152.31 44.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.226 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . 0.643 ' HG ' ' HE1' ' A' ' 173' ' ' TRP . 0.7 OUTLIER -166.31 111.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.046 -179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.642 ' O ' ' HB1' ' A' ' 190' ' ' ALA . 81.8 tt0 -116.36 124.73 50.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.128 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' TRP . . . . . 0.887 ' CZ2' HG23 ' A' ' 232' ' ' ILE . 40.3 m95 -120.63 117.0 26.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.907 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.64 119.81 38.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.335 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' PHE . . . . . 0.72 ' O ' ' HA ' ' A' ' 153' ' ' THR . 19.5 m-85 -117.47 88.58 2.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.745 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 181' ' ' ILE . 18.8 p -50.03 -131.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.603 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . 1.053 HG13 ' O ' ' A' ' 152' ' ' GLN . 1.8 pp -164.34 151.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.637 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' THR . . . . . 0.931 ' HB ' ' CG ' ' A' ' 184' ' ' PRO . 0.6 OUTLIER 149.74 61.47 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.433 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 1.056 ' HA ' ' HB ' ' A' ' 218' ' ' VAL . 80.2 Cg_exo -34.41 12.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.447 2.764 . . . . 0.0 112.68 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . 0.931 ' CG ' ' HB ' ' A' ' 182' ' ' THR . 66.1 Cg_endo -79.92 -4.26 13.25 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.834 2.356 . . . . 0.0 112.101 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' THR . . . . . 1.037 ' O ' ' HA ' ' A' ' 217' ' ' GLN . 1.2 m 159.33 -18.69 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.296 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.169 ' HB3' ' C ' ' A' ' 216' ' ' VAL . . . 65.89 131.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.925 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' GLN . . . . . 1.048 ' HA ' ' HA ' ' A' ' 215' ' ' SER . 27.5 mp0 -106.8 -114.96 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.236 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 187' ' ' GLN . 2.2 t 145.64 173.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.724 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.776 ' N ' ' CG1' ' A' ' 188' ' ' VAL . . . 165.84 111.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.371 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 176' ' ' GLU . . . -136.44 -167.52 2.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.545 HG23 ' OD1' ' A' ' 211' ' ' ASP . 2.0 p -165.78 115.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.5 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 192' ' ' LEU . 6.9 mp -85.55 157.84 20.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.633 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -150.35 147.77 28.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . 0.841 HD11 ' CZ3' ' A' ' 173' ' ' TRP . 23.9 mt -149.45 134.11 9.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.23 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -142.32 130.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.958 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.704 ' O ' ' HA ' ' A' ' 205' ' ' GLN . 3.2 t -132.69 136.66 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.092 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' HIS . . . . . 0.759 ' O ' ' HA ' ' A' ' 169' ' ' TRP . 11.1 t60 -126.56 141.6 51.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.927 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' TYR . . . . . 0.619 ' CD1' ' O ' ' A' ' 198' ' ' TYR . 51.0 t80 -145.55 87.13 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.303 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.607 ' CG ' ' O ' ' A' ' 199' ' ' TYR . 1.4 t80 -100.08 87.72 3.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' GLU . . . . . 1.066 ' O ' ' CG ' ' A' ' 201' ' ' ASP . 58.2 tt0 -129.41 52.18 2.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.335 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ASP . . . . . 1.066 ' CG ' ' O ' ' A' ' 200' ' ' GLU . 51.1 p30 114.82 2.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.393 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . 0.432 ' HA3' HD22 ' B' ' 493' ' ' LEU . . . -157.66 -129.12 1.08 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -172.82 99.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' VAL . . . . . . . . . . . . . 59.7 t -127.04 129.16 71.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.599 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' GLN . . . . . 0.704 ' HA ' ' O ' ' A' ' 196' ' ' VAL . 9.8 mt-30 -136.81 154.14 50.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.472 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' LEU . . . . . 0.481 HD22 ' OH ' ' A' ' 247' ' ' TYR . 12.7 tp -122.27 87.17 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.693 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' VAL . . . . . . . . . . . . . 13.3 t -90.02 122.21 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.419 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' SER . . . . . . . . . . . . . 7.2 p -149.61 147.22 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.003 0.43 . . . . 0.0 110.747 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' HIS . . . . . 0.473 ' CE1' ' OG1' ' B' ' 486' ' ' THR . 35.2 p80 -157.82 145.15 18.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.162 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -135.44 129.03 32.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.929 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' ASP . . . . . 0.545 ' OD1' HG23 ' A' ' 191' ' ' VAL . 96.8 m-20 -103.55 129.83 50.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.196 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' ILE . . . . . . . . . . . . . 20.7 tt -127.15 154.83 37.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.947 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -150.13 102.58 3.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.346 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' ASP . . . . . 0.638 ' O ' ' HB ' ' A' ' 188' ' ' VAL . 98.5 m-20 -118.81 166.06 13.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.747 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' SER . . . . . 1.048 ' HA ' ' HA ' ' A' ' 187' ' ' GLN . 33.5 p -117.75 103.36 9.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.495 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' VAL . . . . . 1.169 ' C ' ' HB3' ' A' ' 186' ' ' ALA . 81.3 t -91.9 166.01 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . 1.037 ' HA ' ' O ' ' A' ' 185' ' ' THR . 77.9 mt-30 -102.63 128.06 49.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' VAL . . . . . 1.089 HG23 ' HB2' ' A' ' 186' ' ' ALA . 79.7 t -86.04 137.52 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.624 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 43.8 m -131.02 -98.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' SER . . . . . . . . . . . . . 2.0 t -100.23 -163.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.585 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' ASP . . . . . 0.482 ' O ' HG22 ' A' ' 224' ' ' THR . 65.6 t0 -86.87 -62.55 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' VAL . . . . . . . . . . . . . 14.9 p -70.11 -24.69 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.489 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -73.94 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.525 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 221' ' ' ASP . 5.0 t -54.55 -36.97 64.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.494 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' ALA . . . . . 0.472 ' O ' HG12 ' A' ' 229' ' ' ILE . . . -57.52 -57.09 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -57.11 -30.49 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.43 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.63 -38.75 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.448 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -67.74 -53.87 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.432 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 225' ' ' ALA . 11.8 mm -52.13 -27.38 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.363 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -74.86 -36.73 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.338 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' ILE . . . . . 0.424 HG13 HG21 ' A' ' 216' ' ' VAL . 4.4 mm -67.5 -41.16 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.479 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' ILE . . . . . 0.887 HG23 ' CZ2' ' A' ' 177' ' ' TRP . 98.6 mt -70.11 -44.49 78.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' GLU . . . . . . . . . . . . . 55.0 tt0 -56.99 -47.03 81.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -69.62 -43.93 71.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' ALA . . . . . . . . . . . . . . . -64.16 -51.87 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.43 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 237' ' ' ASN . . . . . 0.531 ' HA ' HH22 ' B' ' 544' ' ' ARG . 93.4 m-20 -60.05 -40.21 88.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.418 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.78 -34.38 73.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.481 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 239' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -68.44 -44.44 74.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.514 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 240' ' ' GLN . . . . . 0.447 ' CB ' ' NH2' ' B' ' 544' ' ' ARG . 50.7 tp60 -68.15 -38.95 82.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' THR . . . . . . . . . . . . . 83.8 m -61.45 -45.74 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 242' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.67 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.49 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 243' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.18 -47.51 73.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.498 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 244' ' ' SER . . . . . . . . . . . . . 78.3 p -60.69 -34.22 74.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 245' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -42.89 84.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.15 -34.61 76.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.529 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 247' ' ' TYR . . . . . 0.481 ' OH ' HD22 ' A' ' 206' ' ' LEU . 2.8 m-85 -64.92 -31.89 73.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 248' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -73.21 -50.91 19.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.55 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 249' ' ' THR . . . . . 0.55 ' O ' ' HB ' ' A' ' 253' ' ' THR . 42.8 p -64.77 -34.8 79.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.602 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 250' ' ' MET . . . . . . . . . . . . . 50.3 mtt -72.9 -14.49 61.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.49 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . 0.443 ' O ' ' NZ ' ' A' ' 256' ' ' LYS . 3.2 p -113.01 -10.09 13.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 252' ' ' ASP . . . . . 0.638 ' O ' ' OG1' ' A' ' 253' ' ' THR . 93.8 m-20 -132.12 47.71 2.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.595 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 253' ' ' THR . . . . . 0.638 ' OG1' ' O ' ' A' ' 252' ' ' ASP . 5.8 m 175.72 -78.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.567 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 254' ' ' THR . . . . . 0.538 ' N ' HG22 ' A' ' 253' ' ' THR . 7.0 m -53.52 -61.24 2.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 255' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -47.68 -57.49 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.621 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 256' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 251' ' ' SER . 64.6 mttp -64.27 -11.74 34.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.553 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 254' ' ' THR . . . -87.26 -18.21 30.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.555 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 258' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.03 -91.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 259' ' ' ARG . . . . . 0.771 ' HG2' ' H ' ' A' ' 260' ' ' ARG . 15.6 ttp180 -98.64 174.48 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.474 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 260' ' ' ARG . . . . . 0.771 ' H ' ' HG2' ' A' ' 259' ' ' ARG . 0.0 OUTLIER -109.17 153.18 24.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.581 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 261' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -83.73 -11.2 57.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.437 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 262' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 262' ' ' LEU . 0.3 OUTLIER -163.67 133.28 3.1 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.487 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 263' ' ' PRO . . . . . 0.739 ' HG3' ' CZ ' ' B' ' 411' ' ' TYR . 34.3 Cg_exo -43.96 135.39 7.86 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.892 2.395 . . . . 0.0 112.087 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 264' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 264' ' ' VAL . 21.6 t -37.76 -38.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.601 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 265' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 265' ' ' THR . 89.2 m -64.15 -5.46 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.642 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 266' ' ' ARG . . . . . 0.702 ' N ' ' O ' ' A' ' 263' ' ' PRO . 37.9 ttm180 54.17 55.57 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.495 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 267' ' ' THR . . . . . 0.627 ' O ' ' C ' ' A' ' 268' ' ' LYS . 0.0 OUTLIER 173.25 114.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.405 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 268' ' ' LYS . . . . . 0.627 ' C ' ' O ' ' A' ' 267' ' ' THR . 24.6 mtmm -16.76 131.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.626 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 269' ' ' ILE . . . . . 0.447 ' CG1' ' N ' ' A' ' 270' ' ' ASP . 7.5 tt -50.23 158.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 270' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 273' ' ' LYS . 10.6 t70 -117.12 58.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 271' ' ' TRP . . . . . 0.593 ' C ' ' O ' ' A' ' 270' ' ' ASP . 77.2 m95 -21.37 -55.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.621 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 272' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 270' ' ' ASP . 44.1 t30 -44.55 -25.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 273' ' ' LYS . . . . . 1.247 ' O ' ' HB3' ' A' ' 277' ' ' TYR . 19.0 pttt -99.93 -7.71 24.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.661 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 274' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' A' ' 271' ' ' TRP . 1.3 tp -103.19 -1.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.576 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 275' ' ' LEU . . . . . 0.728 ' O ' ' CB ' ' A' ' 276' ' ' SER . 77.0 mt -111.09 44.92 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 276' ' ' SER . . . . . 1.309 ' O ' ' N ' ' A' ' 278' ' ' LYS . 9.4 m 141.94 -38.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.622 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 277' ' ' TYR . . . . . 1.247 ' HB3' ' O ' ' A' ' 273' ' ' LYS . 69.7 t80 -31.01 43.28 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.618 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 278' ' ' LYS . . . . . 1.309 ' N ' ' O ' ' A' ' 276' ' ' SER . 99.4 mttt -107.67 80.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 279' ' ' ILE . . . . . 1.075 ' O ' ' O ' ' A' ' 280' ' ' GLY . 2.2 pt 54.21 3.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.563 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . 1.075 ' O ' ' O ' ' A' ' 279' ' ' ILE . . . -24.64 -135.15 0.0 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 281' ' ' LYS . . . . . . . . . . . . . 21.7 pttp . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.528 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 302' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' B' ' 305' ' ' GLN . 16.1 t . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.352 -0.611 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 303' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -42.8 -51.22 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.509 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 304' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -55.36 -34.12 64.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.465 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 305' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 302' ' ' SER . 24.0 mt-30 -60.77 -49.03 79.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.452 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 306' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.2 -40.67 77.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.411 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 307' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -64.92 -40.8 95.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 308' ' ' CYS . . . . . 0.404 ' SG ' HD22 ' A' ' 38' ' ' LEU . 94.0 m -68.14 -37.21 80.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.362 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 309' ' ' ALA . . . . . 0.709 ' HB1' HD21 ' B' ' 328' ' ' LEU . . . -64.16 -42.15 96.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.357 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 310' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.36 -38.35 84.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.418 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 311' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -68.31 -33.71 74.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.324 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 312' ' ' LEU . . . . . . . . . . . . . 61.9 tp -68.79 -43.73 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.383 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 313' ' ' MET . . . . . . . . . . . . . 79.1 mmm -64.37 -25.61 68.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 314' ' ' ARG . . . . . 0.588 ' NH2' ' OH ' ' A' ' 199' ' ' TYR . 3.9 mtp180 -82.28 -12.34 58.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.42 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 315' ' ' ARG . . . . . 0.563 HH21 ' CD ' ' A' ' 31' ' ' GLU . 27.6 mmt-85 -100.12 -46.89 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 316' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.67 147.74 95.28 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.585 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 317' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' B' ' 318' ' ' PRO . 50.8 Cg_exo -49.63 128.38 20.93 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.808 2.338 . . . . 0.0 112.047 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 318' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' B' ' 317' ' ' PRO . 6.8 Cg_exo -71.43 -4.05 14.21 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.878 2.385 . . . . 0.0 112.041 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 319' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -80.61 -17.76 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.552 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 320' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -123.92 39.42 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 321' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 318' ' ' PRO . 35.6 mm -63.4 -40.79 90.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.581 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 322' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.74 -60.85 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.494 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 323' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -54.65 -54.38 42.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 324' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -54.71 -55.77 26.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.439 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.418 ' CD2' ' OE1' ' B' ' 345' ' ' GLN . 42.8 tp -47.14 -48.92 23.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' SER . . . . . . . . . . . . . 45.5 t -57.17 -49.61 75.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.424 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' ASP . . . . . 0.445 ' CG ' HD12 ' A' ' 16' ' ' ILE . 53.6 m-20 -62.39 -40.76 97.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.425 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' LEU . . . . . 0.709 HD21 ' HB1' ' B' ' 309' ' ' ALA . 62.4 tp -55.51 -41.08 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.531 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.47 -41.11 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -57.81 -37.96 74.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.42 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' B' ' 331' ' ' LEU . 11.1 mt -71.25 -29.11 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.386 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' VAL . . . . . . . . . . . . . 2.5 m -144.57 84.63 9.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.418 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -68.08 -5.59 15.1 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.76 2.307 . . . . 0.0 112.061 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' SER . . . . . . . . . . . . . 69.0 m -89.31 -6.5 56.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.59 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' LEU . . . . . 0.478 ' O ' ' CG ' ' B' ' 339' ' ' LEU . 79.1 mt -119.04 20.92 12.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.591 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' B' ' 337' ' ' GLU . 27.1 p -64.15 -55.83 19.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.542 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' GLU . . . . . 0.584 ' N ' ' SG ' ' B' ' 336' ' ' CYS . 81.0 tt0 -60.39 -50.36 73.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.76 -36.14 73.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.534 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' LEU . . . . . 0.478 ' CG ' ' O ' ' B' ' 335' ' ' LEU . 77.1 mt -79.09 -28.62 43.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' LEU . . . . . 0.64 ' O ' ' CB ' ' B' ' 363' ' ' ASP . 44.2 mt -81.49 12.4 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' SER . . . . . . . . . . . . . 53.8 p -144.09 -3.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' SER . . . . . . . . . . . . . 5.6 t -119.33 -15.49 9.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' VAL . . . . . . . . . . . . . 99.2 t -105.87 120.1 56.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.466 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.87 128.65 35.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.643 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' GLN . . . . . 0.418 ' OE1' ' CD2' ' B' ' 325' ' ' LEU . 0.0 OUTLIER -129.35 165.92 29.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.481 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.41 125.27 5.83 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.849 2.366 . . . . 0.0 112.095 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' LEU . . . . . . . . . . . . . 97.2 mt -66.7 122.44 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.663 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -88.59 148.77 23.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.455 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' ILE . . . . . . . . . . . . . 20.3 tt -102.98 136.41 35.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.74 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' ALA . . . . . 0.724 ' O ' ' HA ' ' B' ' 358' ' ' ASP . . . -123.64 157.67 33.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.481 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -114.34 143.34 45.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.605 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.962 ' O ' ' N ' ' B' ' 356' ' ' GLY . 40.6 t0 -111.92 81.44 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.456 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' B' ' 352' ' ' ASP . 98.9 mttt -37.24 -62.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' VAL . . . . . . . . . . . . . 97.3 t -39.5 -52.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' VAL . . . . . . . . . . . . . 2.9 t -92.94 -25.54 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . 0.962 ' N ' ' O ' ' B' ' 352' ' ' ASP . . . 75.24 24.69 70.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' B' ' 352' ' ' ASP . 98.4 mttt -115.14 154.93 28.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.546 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' ASP . . . . . 0.724 ' HA ' ' O ' ' B' ' 350' ' ' ALA . 96.0 m-20 -94.75 143.04 26.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.602 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' TYR . . . . . 0.682 ' CZ ' ' CB ' ' B' ' 350' ' ' ALA . 30.7 p90 -139.66 135.78 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.542 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.22 156.64 38.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.548 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 361' ' ' LEU . . . . . . . . . . . . . 61.6 mt -108.54 158.56 17.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.615 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 362' ' ' CYS . . . . . 0.463 ' SG ' ' CG ' ' B' ' 365' ' ' ASN . 20.2 p -168.19 168.65 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 363' ' ' ASP . . . . . 0.64 ' CB ' ' O ' ' B' ' 340' ' ' LEU . 7.7 p-10 -75.5 -10.25 59.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 364' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.4 -18.24 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.412 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 365' ' ' ASN . . . . . 0.463 ' CG ' ' SG ' ' B' ' 362' ' ' CYS . 53.3 p30 -123.16 24.73 8.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 366' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -119.94 129.81 54.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.511 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 367' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -122.18 99.48 6.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.53 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 368' ' ' GLY . . . . . . . . . . . . . . . 80.09 -98.67 1.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -126.34 8.67 7.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.872 0.368 . . . . 0.0 110.557 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 370' ' ' SER . . . . . 0.995 ' HB3' ' HD2' ' B' ' 381' ' ' PRO . 4.5 m -122.33 161.32 23.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.4 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 371' ' ' TYR . . . . . 1.106 ' O ' ' HA ' ' B' ' 379' ' ' TYR . 0.4 OUTLIER -118.29 150.84 38.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.499 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 372' ' ' ARG . . . . . 0.458 ' NH2' ' HB3' ' B' ' 387' ' ' ALA . 17.5 mtt180 -98.78 124.73 43.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.61 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 373' ' ' SER . . . . . 0.587 ' O ' ' HA ' ' B' ' 377' ' ' ASN . 96.1 p -79.66 133.77 58.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.738 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 374' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.91 -14.71 19.13 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.788 2.326 . . . . 0.0 112.227 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 375' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -85.89 -66.31 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.569 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . 0.496 ' HG ' ' HG ' ' B' ' 373' ' ' SER . 80.1 p -83.05 -18.62 39.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.663 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 377' ' ' ASN . . . . . 0.587 ' HA ' ' O ' ' B' ' 373' ' ' SER . 10.7 m-80 70.2 40.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 378' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -141.55 137.89 32.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.573 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 379' ' ' TYR . . . . . 1.106 ' HA ' ' O ' ' B' ' 371' ' ' TYR . 0.0 OUTLIER -65.76 140.4 58.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.679 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 380' ' ' ASP . . . . . 0.755 ' CB ' ' HD3' ' B' ' 381' ' ' PRO . 0.1 OUTLIER -51.91 -60.48 6.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.328 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 381' ' ' PRO . . . . . 0.995 ' HD2' ' HB3' ' B' ' 370' ' ' SER . 32.5 Cg_exo -65.45 120.0 7.13 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.022 2.481 . . . . 0.0 112.283 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 382' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -41.53 79.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.96 2.44 . . . . 0.0 112.317 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.732 HD23 ' H ' ' B' ' 384' ' ' GLU . 0.4 OUTLIER -84.51 177.52 8.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.84 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.732 ' H ' HD23 ' B' ' 383' ' ' LEU . 96.6 mt-10 -111.62 -72.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.615 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -117.0 66.03 0.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.548 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 386' ' ' GLY . . . . . 0.832 ' HA3' ' CE2' ' B' ' 379' ' ' TYR . . . -72.2 151.71 47.37 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 387' ' ' ALA . . . . . 0.458 ' HB3' ' NH2' ' B' ' 372' ' ' ARG . . . -64.03 127.32 30.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.822 0.344 . . . . 0.0 110.579 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 388' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -132.25 148.59 70.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.543 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 389' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.97 150.75 49.36 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.779 2.319 . . . . 0.0 112.172 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 390' ' ' SER . . . . . . . . . . . . . 3.4 m -52.67 142.87 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 391' ' ' ALA . . . . . . . . . . . . . . . -43.54 -43.79 5.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.546 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 392' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -67.93 -37.77 82.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.509 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.84 -42.46 70.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.391 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -55.32 -36.79 66.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.44 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 395' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.51 -46.63 85.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.32 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 396' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.37 -32.01 73.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.305 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 397' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -67.77 -38.01 82.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 398' ' ' VAL . . . . . . . . . . . . . 76.7 t -65.09 -40.27 88.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.38 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 399' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.76 -36.95 78.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.321 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 400' ' ' ALA . . . . . . . . . . . . . . . -65.15 -41.89 94.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.384 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 401' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -63.97 -38.94 92.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.372 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 402' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -72.22 -40.32 67.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.404 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 403' ' ' ALA . . . . . . . . . . . . . . . -63.67 -48.01 78.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.337 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 404' ' ' PHE . . . . . 0.5 ' CZ ' HD13 ' B' ' 432' ' ' ILE . 17.1 m-85 -69.33 -29.22 67.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.447 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 405' ' ' ASP . . . . . 0.462 ' CG ' HH21 ' B' ' 408' ' ' ARG . 12.1 t70 -54.58 -38.91 67.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 406' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -77.01 -32.93 57.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.358 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 407' ' ' TYR . . . . . 0.511 ' O ' ' CD1' ' B' ' 411' ' ' TYR . 34.8 t80 -69.73 -18.61 63.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.537 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 408' ' ' ARG . . . . . 0.583 HH12 ' N ' ' B' ' 417' ' ' SER . 0.1 OUTLIER -83.82 -35.48 24.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 409' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -85.16 -8.98 58.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.602 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 410' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 263' ' ' PRO . 41.1 mt -95.83 -17.95 20.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.56 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 411' ' ' TYR . . . . . 0.739 ' CZ ' ' HG3' ' A' ' 263' ' ' PRO . 2.2 m-85 -118.81 -38.12 3.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 412' ' ' PHE . . . . . 0.568 ' O ' ' NZ ' ' B' ' 436' ' ' LYS . 5.5 m-85 -100.55 -25.93 14.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 413' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' B' ' 412' ' ' PHE . 80.3 mt-10 63.44 24.38 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 414' ' ' GLY . . . . . . . . . . . . . . . 162.72 -154.45 25.41 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 415' ' ' GLY . . . . . . . . . . . . . . . 76.44 -163.51 52.91 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 416' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 417' ' ' SER . 58.8 t -128.66 153.72 38.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.332 . . . . 0.0 110.462 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 417' ' ' SER . . . . . 0.583 ' N ' HH12 ' B' ' 408' ' ' ARG . 36.3 t -143.6 148.52 36.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.683 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 418' ' ' SER . . . . . . . . . . . . . 43.9 t -148.2 143.97 27.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 419' ' ' VAL . . . . . . . . . . . . . 94.7 t -132.88 130.26 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.767 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 420' ' ' TYR . . . . . 0.538 ' O ' ' HA2' ' B' ' 430' ' ' GLY . 12.7 t80 -128.48 132.46 48.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.334 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 421' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.66 158.41 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.737 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 422' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -154.48 110.55 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.515 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 423' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -42.99 159.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.621 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 424' ' ' LEU . . . . . 0.475 ' CG ' ' H ' ' B' ' 425' ' ' ASP . 3.1 tp -127.87 -147.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.563 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 425' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 426' ' ' HIS . 0.9 OUTLIER -87.33 -49.81 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.538 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 426' ' ' HIS . . . . . 0.532 ' N ' ' OD1' ' B' ' 425' ' ' ASP . 98.9 m-70 -129.8 30.72 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.533 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 427' ' ' GLY . . . . . . . . . . . . . . . 179.65 -135.67 2.57 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 428' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -170.67 154.13 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.564 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 429' ' ' ALA . . . . . . . . . . . . . . . -123.99 172.84 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.562 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 430' ' ' GLY . . . . . 0.538 ' HA2' ' O ' ' B' ' 420' ' ' TYR . . . -165.16 161.7 35.05 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 431' ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' B' ' 452' ' ' HIS . 4.3 p -130.05 126.39 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 432' ' ' ILE . . . . . 0.574 ' O ' ' ND1' ' B' ' 452' ' ' HIS . 14.8 mt -103.35 113.59 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.596 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 433' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' B' ' 450' ' ' SER . 24.5 mt -102.81 143.11 32.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.565 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 434' ' ' ILE . . . . . 0.514 ' HB ' ' CB ' ' B' ' 450' ' ' SER . 14.5 mt -148.64 119.91 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.639 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 435' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -122.56 127.54 49.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 436' ' ' LYS . . . . . 0.568 ' NZ ' ' O ' ' B' ' 412' ' ' PHE . 19.3 tptm -137.17 119.61 15.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 437' ' ' ALA . . . . . . . . . . . . . . . -103.89 138.14 40.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.607 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 438' ' ' GLY . . . . . . . . . . . . . . . -75.08 179.49 45.13 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 439' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -50.74 128.04 19.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 440' ' ' GLY . . . . . . . . . . . . . . . -89.58 9.75 75.97 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 441' ' ' SER . . . . . . . . . . . . . 98.8 p -110.39 -4.24 15.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 110.58 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 442' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -89.18 153.89 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.555 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 443' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -56.97 -43.75 81.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.627 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 444' ' ' ILE . . . . . 1.053 ' H ' HD13 ' B' ' 444' ' ' ILE . 0.1 OUTLIER -95.13 135.99 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.697 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -105.81 154.69 20.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.344 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . -147.71 152.46 24.56 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 447' ' ' CYS . . . . . . . . . . . . . 31.0 m -149.49 130.6 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.214 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 448' ' ' TRP . . . . . 0.55 ' CD1' ' C ' ' B' ' 448' ' ' TRP . 5.2 t-105 -114.78 116.26 28.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 449' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' B' ' 474' ' ' MET . 3.2 m-20 -109.5 127.19 54.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.229 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 450' ' ' SER . . . . . 0.514 ' CB ' ' HB ' ' B' ' 434' ' ' ILE . 1.3 m -115.9 122.76 46.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.9 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 451' ' ' ILE . . . . . . . . . . . . . 90.9 mt -127.96 100.77 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.217 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 452' ' ' HIS . . . . . 0.574 ' ND1' ' O ' ' B' ' 432' ' ' ILE . 2.4 m80 -108.63 132.42 53.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.89 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 453' ' ' VAL . . . . . 0.725 ' O ' HG22 ' B' ' 470' ' ' THR . 0.2 OUTLIER -128.73 95.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.232 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 454' ' ' VAL . . . . . . . . . . . . . 5.8 p -96.74 153.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 455' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -131.8 102.16 5.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.328 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 456' ' ' VAL . . . . . 0.401 HG22 ' CE2' ' B' ' 467' ' ' TYR . 77.1 t -79.06 139.6 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.795 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 457' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -123.5 68.37 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 458' ' ' GLU . . . . . 0.513 ' CD ' ' N ' ' B' ' 459' ' ' LYS . 8.0 tm-20 -40.32 146.43 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 459' ' ' LYS . . . . . 0.592 ' CG ' ' O ' ' B' ' 464' ' ' THR . 34.0 mmtm -109.36 141.97 40.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.564 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 460' ' ' SER . . . . . . . . . . . . . 78.3 p -48.94 -54.17 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 461' ' ' SER . . . . . . . . . . . . . 36.1 p -126.71 146.56 50.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.574 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 462' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' B' ' 464' ' ' THR . . . 105.29 -12.75 48.17 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 463' ' ' ARG . . . . . 0.485 HH11 ' HG3' ' B' ' 463' ' ' ARG . 24.3 mmm-85 59.15 -0.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.761 0.315 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.592 ' O ' ' CG ' ' B' ' 459' ' ' LYS . 0.1 OUTLIER -82.23 123.59 29.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.445 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 465' ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' B' ' 458' ' ' GLU . . . -114.74 151.85 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.747 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 466' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -92.93 126.6 38.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.325 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 467' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' B' ' 456' ' ' VAL . 84.3 m-85 -103.18 139.44 38.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 468' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -135.8 86.11 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.173 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 469' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.21 157.6 23.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.996 0.427 . . . . 0.0 111.09 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 470' ' ' THR . . . . . 0.74 ' O ' HG23 ' B' ' 470' ' ' THR . 14.7 t -157.89 62.85 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.05 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 471' ' ' SER . . . . . 0.494 ' HA ' ' HA ' ' B' ' 452' ' ' HIS . 95.2 p -64.65 174.59 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.127 -179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 472' ' ' THR . . . . . 0.515 HG23 ' OG1' ' B' ' 494' ' ' THR . 56.0 m -168.79 87.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.151 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 473' ' ' VAL . . . . . 0.528 ' O ' ' OG ' ' B' ' 492' ' ' SER . 97.5 t -69.72 143.81 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 474' ' ' MET . . . . . 0.538 ' HA ' ' HB2' ' B' ' 492' ' ' SER . 9.3 ttt -124.79 96.04 4.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.136 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 475' ' ' LEU . . . . . 0.726 HD23 ' N ' ' B' ' 476' ' ' TRP . 0.8 OUTLIER -86.7 131.21 34.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 -179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 476' ' ' TRP . . . . . 0.726 ' N ' HD23 ' B' ' 475' ' ' LEU . 0.0 OUTLIER -125.31 130.28 51.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.223 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 477' ' ' LEU . . . . . . . . . . . . . 37.4 mt -137.38 124.73 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 0.0 110.725 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 478' ' ' GLN . . . . . 0.401 ' CG ' ' N ' ' B' ' 479' ' ' THR . 52.5 tt0 -138.24 158.13 44.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.387 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 479' ' ' THR . . . . . 0.607 ' HB ' HG22 ' B' ' 444' ' ' ILE . 1.9 t -163.44 127.51 2.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 480' ' ' ASN . . . . . 0.454 ' HA ' ' O ' ' B' ' 485' ' ' GLY . 98.8 m-20 -108.2 73.77 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 481' ' ' LYS . . . . . 0.874 ' O ' ' N ' ' B' ' 485' ' ' GLY . 66.4 tttm -107.61 146.6 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 482' ' ' THR . . . . . . . . . . . . . 62.2 p -57.26 -45.96 83.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.538 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 483' ' ' GLY . . . . . . . . . . . . . . . -63.66 -25.24 68.74 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 484' ' ' SER . . . . . 0.45 ' O ' ' N ' ' B' ' 486' ' ' THR . 48.2 p -125.93 14.86 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.622 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 485' ' ' GLY . . . . . 0.874 ' N ' ' O ' ' B' ' 481' ' ' LYS . . . 35.57 -96.4 0.01 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 486' ' ' THR . . . . . 0.473 ' OG1' ' CE1' ' A' ' 209' ' ' HIS . 18.5 p -126.06 114.0 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.342 . . . . 0.0 110.479 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 487' ' ' MET . . . . . 0.594 ' C ' HD22 ' B' ' 488' ' ' ASN . 11.6 ttp -125.11 118.03 25.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 488' ' ' ASN . . . . . 0.594 HD22 ' C ' ' B' ' 487' ' ' MET . 1.1 m-80 -118.98 123.93 45.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.643 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 489' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' B' ' 489' ' ' LEU . 17.9 tp -131.61 76.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 490' ' ' GLY . . . . . . . . . . . . . . . -107.47 -163.85 21.74 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 491' ' ' GLY . . . . . 0.573 ' O ' ' HB2' ' B' ' 492' ' ' SER . . . 144.9 -142.65 11.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 492' ' ' SER . . . . . 0.573 ' HB2' ' O ' ' B' ' 491' ' ' GLY . 27.0 t 163.24 135.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.762 0.315 . . . . 0.0 110.478 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 493' ' ' LEU . . . . . 1.055 HD13 ' H ' ' B' ' 494' ' ' THR . 0.2 OUTLIER -110.59 149.43 30.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.62 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 494' ' ' THR . . . . . 1.055 ' H ' HD13 ' B' ' 493' ' ' LEU . 55.5 m -127.09 142.86 51.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.517 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 495' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -149.95 128.75 12.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.674 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 496' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -92.87 160.58 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.525 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 497' ' ' MET . . . . . . . . . . . . . 3.1 tpp -160.02 130.46 5.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.677 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 498' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 498' ' ' GLU . 4.0 mp0 -133.49 141.63 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 499' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -172.26 145.75 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 500' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' B' ' 500' ' ' ASP . 43.4 p-10 -91.23 125.21 35.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.509 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 501' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' B' ' 512' ' ' ASN . 73.7 tt0 -120.67 160.19 23.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.629 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 502' ' ' THR . . . . . . . . . . . . . 76.1 p -94.24 131.8 39.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 503' ' ' VAL . . . . . . . . . . . . . 3.3 t -98.6 122.39 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.694 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 504' ' ' SER . . . . . . . . . . . . . 89.0 p -142.96 -177.22 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.581 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 505' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -68.94 -35.89 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 506' ' ' SER . . . . . . . . . . . . . 78.2 p -83.6 -19.89 34.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.566 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 507' ' ' SER . . . . . . . . . . . . . 34.6 t -135.43 73.4 63.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.614 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 508' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.58 -172.54 0.95 Allowed 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.742 2.295 . . . . 0.0 112.176 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 509' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -58.79 -62.73 1.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.474 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 510' ' ' ILE . . . . . 0.421 ' H ' HG13 ' B' ' 510' ' ' ILE . 67.4 mt -42.69 -49.03 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.623 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 511' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.29 71.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.637 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 512' ' ' ASN . . . . . 0.432 ' OD1' ' OE2' ' B' ' 501' ' ' GLU . 46.6 m-20 -62.96 -48.1 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.675 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 513' ' ' ILE . . . . . 0.55 ' O ' HG23 ' B' ' 517' ' ' VAL . 67.6 mt -61.07 -33.66 56.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.591 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 514' ' ' GLY . . . . . 0.505 ' CA ' ' CZ2' ' A' ' 271' ' ' TRP . . . -66.77 -46.53 74.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 515' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -57.35 -44.36 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 516' ' ' LEU . . . . . . . . . . . . . 9.2 mp -63.15 -52.51 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.598 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 517' ' ' VAL . . . . . 0.55 HG23 ' O ' ' B' ' 513' ' ' ILE . 94.3 t -55.48 -47.24 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 518' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -57.89 -51.66 68.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.81 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 519' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' B' ' 519' ' ' ASP . 65.4 t0 -63.55 -37.5 87.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.733 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 520' ' ' MET . . . . . . . . . . . . . 3.7 tpt -64.39 -49.37 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.759 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 521' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.62 -45.23 93.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.71 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 522' ' ' ASN . . . . . 0.583 HD22 HH12 ' A' ' 259' ' ' ARG . 2.8 m120 -56.96 -41.43 78.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 523' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -70.61 -38.46 73.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.792 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 524' ' ' ILE . . . . . . . . . . . . . 97.2 mt -74.35 -24.41 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.663 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 525' ' ' ARG . . . . . 0.656 ' HG2' HH11 ' B' ' 525' ' ' ARG . 0.0 OUTLIER -68.73 -27.64 66.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.661 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 526' ' ' SER . . . . . 0.538 ' N ' ' HG3' ' B' ' 525' ' ' ARG . 69.2 p -85.04 -38.74 18.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 527' ' ' THR . . . . . . . . . . . . . 8.3 m -66.04 -35.8 81.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.649 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 528' ' ' LEU . . . . . 0.682 ' O ' ' HB2' ' B' ' 532' ' ' TYR . 66.1 mt -64.95 -42.38 94.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.692 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 529' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.5 -31.33 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.637 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 530' ' ' GLU . . . . . 0.961 ' O ' ' HA3' ' B' ' 534' ' ' GLY . 94.4 mt-10 -74.32 -54.44 7.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 531' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.47 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 532' ' ' TYR . . . . . 0.682 ' HB2' ' O ' ' B' ' 528' ' ' LEU . 18.0 m-85 -50.23 -86.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 533' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' B' ' 533' ' ' PHE . 0.1 OUTLIER -77.76 40.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.59 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 534' ' ' GLY . . . . . 0.961 ' HA3' ' O ' ' B' ' 530' ' ' GLU . . . -144.14 -87.1 0.08 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 535' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' B' ' 536' ' ' THR . 64.8 mttp -56.94 -68.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.524 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 536' ' ' THR . . . . . 0.631 ' OG1' ' O ' ' B' ' 532' ' ' TYR . 36.6 p -34.78 -58.02 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 537' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -50.31 -53.29 29.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.636 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 538' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.19 -44.94 68.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.564 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 539' ' ' ILE . . . . . 0.626 HD12 ' CZ3' ' A' ' 169' ' ' TRP . 36.6 mm -61.73 -36.04 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.66 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 540' ' ' VAL . . . . . . . . . . . . . 74.3 t -65.46 -41.95 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.686 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 541' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -69.76 -17.14 63.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.577 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 542' ' ' GLY . . . . . . . . . . . . . . . -81.49 -27.37 47.98 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 543' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 95.9 mt -68.11 -51.41 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 110.438 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 544' ' ' ARG . . . . . 0.689 ' HG2' ' H ' ' B' ' 545' ' ' SER . 9.1 ttp180 -141.81 170.09 16.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.667 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 545' ' ' SER . . . . . 0.689 ' H ' ' HG2' ' B' ' 544' ' ' ARG . 37.4 t -142.22 137.82 31.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 546' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.05 -43.5 81.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.533 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 547' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.83 138.62 33.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.631 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 548' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 134' ' ' ASP . . . -52.49 122.11 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.536 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 549' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' B' ' 551' ' ' ASP . 77.8 mt -79.52 112.72 31.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.543 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 550' ' ' PRO . . . . . 0.569 ' O ' ' O ' ' B' ' 551' ' ' ASP . 76.4 Cg_exo -46.54 80.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.862 2.375 . . . . 0.0 112.121 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 551' ' ' ASP . . . . . 0.569 ' O ' ' O ' ' B' ' 550' ' ' PRO . 51.6 p-10 -25.24 145.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.663 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 552' ' ' ASN . . . . . 0.546 ' ND2' ' CD1' ' B' ' 555' ' ' TYR . 45.3 p-10 -129.88 116.11 18.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.57 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 553' ' ' GLN . . . . . 0.644 ' CD ' ' H ' ' B' ' 553' ' ' GLN . 1.4 pm0 -85.21 -24.8 27.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.7 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 554' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' B' ' 558' ' ' LEU . 50.5 mtmt -52.55 -64.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 555' ' ' TYR . . . . . 0.546 ' CD1' ' ND2' ' B' ' 552' ' ' ASN . 56.1 m-85 -45.19 -56.71 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 556' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -57.53 -46.92 83.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.746 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 557' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -65.83 -29.71 70.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.805 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 558' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' B' ' 554' ' ' LYS . 60.9 tp -77.74 -30.36 51.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.709 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 559' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -73.54 -36.4 65.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.694 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 560' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -58.22 -40.54 81.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 561' ' ' GLU . . . . . 0.534 ' O ' HG23 ' B' ' 565' ' ' VAL . 80.1 mm-40 -67.81 -61.82 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.648 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 562' ' ' LEU . . . . . 0.889 ' O ' ' HB ' ' B' ' 565' ' ' VAL . 1.1 tt -49.02 -40.77 32.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.649 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 563' ' ' SER . . . . . 0.798 ' O ' ' N ' ' B' ' 565' ' ' VAL . 58.4 m -61.19 -76.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.683 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 564' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -36.64 -13.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.688 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 565' ' ' VAL . . . . . 0.889 ' HB ' ' O ' ' B' ' 562' ' ' LEU . 15.5 t -72.09 -42.74 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 566' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' B' ' 563' ' ' SER . 76.4 mt -81.4 -35.62 30.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 567' ' ' THR . . . . . . . . . . . . . 4.0 p -70.28 -19.54 63.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.545 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 568' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -117.59 6.69 12.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.687 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 569' ' ' ARG . . . . . 0.745 ' O ' ' CB ' ' B' ' 570' ' ' GLN . 0.1 OUTLIER -160.95 -141.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.525 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 570' ' ' GLN . . . . . 0.798 ' O ' HG22 ' B' ' 571' ' ' ILE . 40.3 tt0 139.8 128.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.681 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 571' ' ' ILE . . . . . 0.798 HG22 ' O ' ' B' ' 570' ' ' GLN . 14.0 tt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.488 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 601' ' ' MET . . . . . 0.498 ' SD ' ' N ' ' C' ' 601' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 602' ' ' CYS . . . . . . . . . . . . . 6.1 m 62.18 5.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 603' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -49.77 -37.85 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.528 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 604' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -69.68 -52.18 28.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.535 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 605' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -55.11 -28.92 56.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.511 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 606' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.68 -53.68 8.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 607' ' ' MET . . . . . 0.417 ' CG ' ' N ' ' C' ' 608' ' ' TRP . 2.7 ptt? -72.75 -36.82 67.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.58 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 608' ' ' TRP . . . . . 0.417 ' N ' ' CG ' ' C' ' 607' ' ' MET . 76.1 t-105 -56.79 -15.99 5.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 609' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' C' ' 611' ' ' LYS . . . -76.45 -50.68 13.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 610' ' ' LEU . . . . . 0.668 HD12 ' H ' ' C' ' 610' ' ' LEU . 3.5 mp -66.28 2.06 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.593 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 611' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' C' ' 609' ' ' ALA . 65.5 tttm -102.09 -66.82 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.538 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 612' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -70.38 -4.26 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.575 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 613' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' C' ' 615' ' ' LEU . . . 83.05 21.81 58.47 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 614' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' C' ' 616' ' ' ASP . 7.2 m-20 -63.86 49.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 0.0 110.536 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 615' ' ' LEU . . . . . 0.977 ' O ' HD13 ' C' ' 615' ' ' LEU . 3.0 tm? -44.97 -17.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 616' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' C' ' 614' ' ' ASP . 96.6 m-20 -77.77 -27.53 50.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.524 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 617' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' C' ' 614' ' ' ASP . 55.3 tp10 -81.49 -49.86 10.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.598 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 618' ' ' VAL . . . . . 0.688 HG11 HD11 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -62.84 -28.37 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.563 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 619' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' C' ' 623' ' ' ALA . 64.2 tttp -66.26 -21.86 66.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.511 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 620' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' C' ' 623' ' ' ALA . 65.1 t0 -75.32 -45.42 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 621' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.96 -59.14 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.573 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 622' ' ' VAL . . . . . . . . . . . . . 11.1 m -57.74 -27.86 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.588 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 623' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' C' ' 619' ' ' LYS . . . -56.68 -16.81 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 624' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.77 -76.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.642 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 625' ' ' GLY . . . . . 0.5 ' O ' ' O ' ' C' ' 626' ' ' GLU . . . -167.92 82.39 0.1 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 626' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' C' ' 625' ' ' GLY . 4.1 pt-20 34.27 95.37 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.579 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 627' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' C' ' 627' ' ' ASP . 48.3 p-10 -140.98 62.7 1.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.602 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 628' ' ' VAL . . . . . 0.644 HG11 ' O ' ' C' ' 654' ' ' LEU . 35.5 t -121.98 76.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.554 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 629' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -173.02 5.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 630' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' C' ' 631' ' ' THR . 5.8 tpt180 -79.01 166.87 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.519 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 631' ' ' THR . . . . . 0.508 ' O ' ' C ' ' C' ' 632' ' ' LEU . 0.1 OUTLIER -82.1 87.68 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 632' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' C' ' 631' ' ' THR . 59.6 tp -31.29 -88.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 633' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' C' ' 634' ' ' GLY . 12.0 tm-20 -71.69 -76.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.565 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 634' ' ' GLY . . . . . 0.533 ' N ' ' OE1' ' C' ' 633' ' ' GLU . . . -153.7 -11.32 0.07 OUTLIER Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 635' ' ' GLY . . . . . 0.497 ' O ' ' NE2' ' C' ' 667' ' ' HIS . . . -163.43 22.71 0.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 636' ' ' ARG . . . . . 0.696 HH21 ' CD2' ' C' ' 640' ' ' HIS . 68.1 mtp180 -127.97 164.88 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.505 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 637' ' ' LYS . . . . . 0.58 ' H ' ' CD ' ' C' ' 637' ' ' LYS . 0.0 OUTLIER -108.37 156.97 37.64 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 638' ' ' PRO . . . . . 0.478 ' O ' ' CD2' ' C' ' 610' ' ' LEU . 56.4 Cg_endo -73.66 25.0 0.32 Allowed 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.871 2.381 . . . . 0.0 112.083 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 639' ' ' LEU . . . . . 0.417 ' H ' ' C ' ' C' ' 637' ' ' LYS . 5.3 mp -117.7 -16.29 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.57 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 640' ' ' HIS . . . . . 0.696 ' CD2' HH21 ' C' ' 636' ' ' ARG . 18.9 t60 -75.24 -43.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.572 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 641' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.73 -35.95 70.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.475 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 642' ' ' ALA . . . . . 0.683 ' O ' ' N ' ' C' ' 646' ' ' GLY . . . -67.9 -45.0 75.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.609 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.99 -48.49 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.585 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 644' ' ' ASP . . . . . 0.502 ' O ' ' SG ' ' C' ' 645' ' ' CYS . 33.3 m-20 -60.59 -35.68 76.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.55 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 645' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' C' ' 644' ' ' ASP . 20.1 m -160.89 65.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 646' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' C' ' 642' ' ' ALA . . . -119.0 34.1 4.47 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 647' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' C' ' 648' ' ' LEU . 42.9 tt0 51.74 4.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 110.569 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 648' ' ' LEU . . . . . 0.896 ' C ' HD21 ' C' ' 651' ' ' LEU . 0.0 OUTLIER 71.58 7.06 5.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.537 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 649' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -115.78 -12.64 11.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 650' ' ' ILE . . . . . 0.628 ' O ' HD12 ' C' ' 654' ' ' LEU . 0.8 OUTLIER -87.53 -36.15 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.613 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 651' ' ' LEU . . . . . 1.055 HD13 ' N ' ' C' ' 651' ' ' LEU . 0.0 OUTLIER -62.29 -52.92 61.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.615 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 652' ' ' GLU . . . . . 0.835 ' H ' ' CD2' ' C' ' 651' ' ' LEU . 82.6 tt0 -56.2 -22.57 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 653' ' ' PHE . . . . . 0.977 ' O ' ' N ' ' C' ' 655' ' ' LEU . 2.1 m-85 -75.85 -97.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 654' ' ' LEU . . . . . 0.813 HD12 ' H ' ' C' ' 654' ' ' LEU . 1.9 mp -41.32 6.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 655' ' ' LEU . . . . . 0.977 ' N ' ' O ' ' C' ' 653' ' ' PHE . 4.0 tt -102.93 -47.85 4.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.626 ' O ' HD23 ' C' ' 656' ' ' LEU . 0.9 OUTLIER -59.26 -25.38 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.536 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 657' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -90.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.518 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 658' ' ' GLY . . . . . 0.6 ' O ' ' HB2' ' C' ' 659' ' ' ALA . . . -65.35 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 659' ' ' ALA . . . . . 0.703 ' C ' ' H ' ' C' ' 661' ' ' ILE . . . 168.08 33.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.595 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 660' ' ' ASP . . . . . 0.427 ' C ' ' H ' ' C' ' 662' ' ' ASN . 87.6 m-20 -57.42 10.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 661' ' ' ILE . . . . . 0.703 ' H ' ' C ' ' C' ' 659' ' ' ALA . 10.9 tp -66.09 1.89 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.534 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 662' ' ' ASN . . . . . 1.106 ' C ' ' HD2' ' C' ' 664' ' ' PRO . 50.1 p30 -163.7 -18.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 663' ' ' ALA . . . . . 0.775 ' N ' ' CD ' ' C' ' 664' ' ' PRO . . . -39.1 -33.68 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 664' ' ' PRO . . . . . 1.106 ' HD2' ' C ' ' C' ' 662' ' ' ASN . 84.6 Cg_exo -46.94 120.79 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.882 2.388 . . . . 0.0 112.123 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 665' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' C' ' 665' ' ' ASP . 25.5 p-10 -125.9 -50.44 1.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.566 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 666' ' ' LYS . . . . . 0.416 ' N ' ' OD1' ' C' ' 665' ' ' ASP . 69.0 mttm -78.79 -16.16 57.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 667' ' ' HIS . . . . . 0.505 ' O ' HG22 ' C' ' 669' ' ' ILE . 35.5 m80 -80.44 -6.31 57.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 668' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 40.53 37.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.644 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 669' ' ' ILE . . . . . 0.505 HG22 ' O ' ' C' ' 667' ' ' HIS . 17.1 tt -176.89 147.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.568 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 670' ' ' THR . . . . . 0.414 HG23 ' H ' ' C' ' 670' ' ' THR . 0.2 OUTLIER -96.23 168.7 10.15 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.491 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 671' ' ' PRO . . . . . 0.452 ' O ' ' OG ' ' C' ' 674' ' ' SER . 55.0 Cg_endo -72.46 -30.53 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.85 2.367 . . . . 0.0 112.118 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 1.1 tp -45.35 -49.06 13.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 673' ' ' LEU . . . . . 0.64 ' O ' ' HB ' ' C' ' 676' ' ' VAL . 10.8 mp -67.87 -27.83 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 674' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' C' ' 671' ' ' PRO . 20.5 p -51.78 -40.89 61.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 675' ' ' ALA . . . . . 0.64 ' O ' ' HB2' ' C' ' 678' ' ' GLU . . . -74.55 -30.02 61.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.601 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 676' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' C' ' 673' ' ' LEU . 7.9 t -47.13 -66.3 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.531 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 677' ' ' TYR . . . . . 0.42 ' N ' HG12 ' C' ' 676' ' ' VAL . 0.7 OUTLIER -77.84 39.34 0.29 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.584 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 678' ' ' GLU . . . . . 0.64 ' HB2' ' O ' ' C' ' 675' ' ' ALA . 37.6 mm-40 -124.5 -28.68 3.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.567 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 679' ' ' GLY . . . . . . . . . . . . . . . 92.24 -11.29 72.48 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 680' ' ' HIS . . . . . 0.899 ' O ' ' N ' ' C' ' 682' ' ' SER . 48.3 m80 -71.99 -53.48 12.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.85 0.357 . . . . 0.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 681' ' ' VAL . . . . . 0.522 HG12 HD11 ' C' ' 713' ' ' ILE . 1.2 m 43.24 -4.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.579 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 682' ' ' SER . . . . . 0.899 ' N ' ' O ' ' C' ' 680' ' ' HIS . 0.3 OUTLIER -67.45 -24.26 65.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 683' ' ' CYS . . . . . . . . . . . . . 1.8 p -90.95 -48.73 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.506 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 684' ' ' VAL . . . . . 0.448 ' HA ' HD12 ' C' ' 687' ' ' LEU . 59.0 t -41.86 -34.9 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.531 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 685' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' C' ' 687' ' ' LEU . 88.8 tttt -62.59 -73.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 686' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.99 1.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.518 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 687' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' C' ' 685' ' ' LYS . 3.4 mt -81.94 -70.22 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 688' ' ' LEU . . . . . . . . . . . . . 1.1 mp -45.64 -21.1 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 689' ' ' SER . . . . . 0.418 ' N ' ' C ' ' C' ' 687' ' ' LEU . 15.5 m -55.76 -21.54 19.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 690' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -99.61 -6.27 27.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 691' ' ' GLY . . . . . 1.078 ' O ' ' N ' ' C' ' 693' ' ' ASP . . . 126.7 -74.93 0.42 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 692' ' ' ALA . . . . . 0.551 ' C ' ' O ' ' C' ' 691' ' ' GLY . . . 24.26 18.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.315 . . . . 0.0 110.549 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 693' ' ' ASP . . . . . 1.078 ' N ' ' O ' ' C' ' 691' ' ' GLY . 9.7 p-10 33.09 -128.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.573 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 694' ' ' LYS . . . . . 0.527 ' N ' ' CG ' ' C' ' 693' ' ' ASP . 26.1 pttm -152.5 -23.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.552 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 695' ' ' THR . . . . . 0.525 ' N ' ' OD2' ' C' ' 693' ' ' ASP . 3.7 m -156.58 73.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 696' ' ' VAL . . . . . 0.754 HG13 ' CG ' ' C' ' 693' ' ' ASP . 0.0 OUTLIER -93.52 -29.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.639 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 697' ' ' LYS . . . . . . . . . . . . . 7.3 tptp -140.21 23.57 2.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.637 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 698' ' ' GLY . . . . . . . . . . . . . . . -84.71 142.78 20.33 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 699' ' ' PRO . . . . . 0.65 ' O ' ' HB2' ' C' ' 700' ' ' ASP . 78.1 Cg_exo -44.73 -27.76 2.53 Favored 'Trans proline' 0 C--N 1.304 -1.811 0 C-N-CA 122.863 2.375 . . . . 0.0 112.164 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 700' ' ' ASP . . . . . 0.65 ' HB2' ' O ' ' C' ' 699' ' ' PRO . 23.0 t70 157.66 -112.41 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 701' ' ' GLY . . . . . 0.573 ' O ' ' CB ' ' C' ' 705' ' ' LEU . . . -84.81 0.38 89.15 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 702' ' ' LEU . . . . . 0.644 ' O ' ' C ' ' C' ' 703' ' ' THR . 3.4 tt -53.83 -66.67 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.632 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 703' ' ' THR . . . . . 0.867 ' O ' ' HB2' ' C' ' 707' ' ' ALA . 11.8 p 16.19 -95.36 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 704' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' C' ' 702' ' ' LEU . . . -106.61 -18.63 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.569 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 705' ' ' LEU . . . . . 0.573 ' CB ' ' O ' ' C' ' 701' ' ' GLY . 3.5 tp -62.82 -75.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -80.75 15.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . 0.867 ' HB2' ' O ' ' C' ' 703' ' ' THR . . . -83.45 -70.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 708' ' ' THR . . . . . . . . . . . . . 29.4 p -139.78 -142.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.599 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 709' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -148.79 -4.47 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 710' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -72.59 151.86 42.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.562 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -71.53 -20.53 62.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 712' ' ' ALA . . . . . . . . . . . . . . . -60.14 -60.44 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.669 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 713' ' ' ILE . . . . . 0.547 HG23 HG22 ' C' ' 676' ' ' VAL . 35.5 mm -69.99 -37.65 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 714' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -52.05 -29.96 23.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 715' ' ' ALA . . . . . . . . . . . . . . . -28.21 14.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 716' ' ' LEU . . . . . 1.063 ' O ' ' HB2' ' C' ' 717' ' ' LEU . 0.6 OUTLIER -161.06 98.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.555 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 717' ' ' LEU . . . . . 1.063 ' HB2' ' O ' ' C' ' 716' ' ' LEU . 2.3 mm? 124.1 -176.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 718' ' ' GLN . . . . . 0.516 ' OXT' ' NE2' ' C' ' 718' ' ' GLN . 37.3 tp60 . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.621 179.986 . . . . . . . . 1 1 . 1 stop_ save_